CID 105436072

2361586-09-4

Structural Information

Molecular Formula
C8H14FNO2
SMILES
C1CC(CCC1C(=O)O)(CN)F
InChI
InChI=1S/C8H14FNO2/c9-8(5-10)3-1-6(2-4-8)7(11)12/h6H,1-5,10H2,(H,11,12)
InChIKey
SNXPKLNRVHVBCE-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-4-fluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10086 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10814 137.3
[M+Na]+ 198.09008 142.6
[M-H]- 174.09358 137.2
[M+NH4]+ 193.13468 158.0
[M+K]+ 214.06402 141.0
[M+H-H2O]+ 158.09812 131.9
[M+HCOO]- 220.09906 155.2
[M+CH3COO]- 234.11471 178.4
[M+Na-2H]- 196.07553 140.3
[M]+ 175.10031 129.9
[M]- 175.10141 129.9
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.