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]+ 194.09871 138.9
[M+Na]+ 216.08065 145.3
[M-H]- 192.08415 137.9
[M+NH4]+ 211.12525 160.9
[M+K]+ 232.05459 143.6
[M+H-H2O]+ 176.08869 133.6
[M+HCOO]- 238.08963 155.8
[M+CH3COO]- 252.10528 181.0
[M+Na-2H]- 214.06610 142.7
[M]+ 193.09088 130.9
[M]- 193.09198 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.