CID 138396357

1-[(butan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-ol

Structural Information

Molecular Formula
C15H14F19NO
SMILES
CCC(C)NCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C15H14F19NO/c1-3-5(2)35-4-6(36)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h5-6,35-36H,3-4H2,1-2H3
InChIKey
PBRMQLWBNAZWRE-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

585.0772 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.08448 188.3
[M+Na]+ 608.06642 193.4
[M-H]- 584.06992 197.8
[M+NH4]+ 603.11102 197.6
[M+K]+ 624.04036 204.3
[M+H-H2O]+ 568.07446 175.7
[M+HCOO]- 630.07540 200.6
[M+CH3COO]- 644.09105 252.8
[M+Na-2H]- 606.05187 186.3
[M]+ 585.07665 183.8
[M]- 585.07775 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.