CID 19364752

1822586-02-6

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CC(C)(C)OC(=O)NC(CC(C)(F)F)C(=O)O
InChI
InChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13-6(7(14)15)5-10(4,11)12/h6H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
NLNAXEQQJLNSSA-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.11256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 153.9
[M+Na]+ 276.10178 159.1
[M-H]- 252.10528 150.1
[M+NH4]+ 271.14638 170.0
[M+K]+ 292.07572 159.3
[M+H-H2O]+ 236.10982 147.9
[M+HCOO]- 298.11076 169.2
[M+CH3COO]- 312.12641 194.5
[M+Na-2H]- 274.08723 155.9
[M]+ 253.11201 152.7
[M]- 253.11311 152.7
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

patents stripe