CID 139595910

N-(perfluoropropanesulfonyl)-n-(3-dimethylaminopropyl)-3-aminopropanoic acid

Structural Information

Molecular Formula
C11H17F7N2O4S
SMILES
CN(C)CCCN(CCC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H17F7N2O4S/c1-19(2)5-3-6-20(7-4-8(21)22)25(23,24)11(17,18)9(12,13)10(14,15)16/h3-7H2,1-2H3,(H,21,22)
InChIKey
LJJSIOCEXBIIPP-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.0797 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08698 177.0
[M+Na]+ 429.06892 181.6
[M-H]- 405.07242 169.0
[M+NH4]+ 424.11352 187.0
[M+K]+ 445.04286 180.6
[M+H-H2O]+ 389.07696 165.4
[M+HCOO]- 451.07790 189.4
[M+CH3COO]- 465.09355 226.1
[M+Na-2H]- 427.05437 177.8
[M]+ 406.07915 172.5
[M]- 406.08025 172.5
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.