CID 53471749

2260936-17-0

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
C1CC(CCC1(CC(=O)O)N)(F)F
InChI
InChI=1S/C8H13F2NO2/c9-8(10)3-1-7(11,2-4-8)5-6(12)13/h1-5,11H2,(H,12,13)
InChIKey
QSMWMMUUZIOOSH-UHFFFAOYSA-N
Compound name
2-(1-amino-4,4-difluorocyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09143 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098706 138.9
[M+Na]+ 216.080648 145.3
[M-H]- 192.084154 137.9
[M+NH4]+ 211.125253 160.9
[M+K]+ 232.054588 143.6
[M+H-H2O]+ 176.088690 133.6
[M+HCOO]- 238.089631 155.8
[M+CH3COO]- 252.105281 181.0
[M+Na-2H]- 214.066096 142.7
[M]+ 193.09088142 130.9
[M]- 193.09197858 130.9
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.