CID 47003603

1240529-10-5

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
C1CC(CCC1(C(=O)O)N)(F)F
InChI
InChI=1S/C7H11F2NO2/c8-7(9)3-1-6(10,2-4-7)5(11)12/h1-4,10H2,(H,11,12)
InChIKey
QKHFDEBCLOAUQX-UHFFFAOYSA-N
Compound name
1-amino-4,4-difluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

179.07579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 134.5
[M+Na]+ 202.06501 141.3
[M-H]- 178.06851 133.6
[M+NH4]+ 197.10961 157.0
[M+K]+ 218.03895 139.8
[M+H-H2O]+ 162.07305 129.4
[M+HCOO]- 224.07399 151.7
[M+CH3COO]- 238.08964 178.0
[M+Na-2H]- 200.05046 138.8
[M]+ 179.07524 126.1
[M]- 179.07634 126.1
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