CID 131477230

2375261-45-1

Structural Information

Molecular Formula
C9H16FNO2
SMILES
COC(=O)C1CCC(CC1)(CN)F
InChI
InChI=1S/C9H16FNO2/c1-13-8(12)7-2-4-9(10,6-11)5-3-7/h7H,2-6,11H2,1H3
InChIKey
UQMFCWCBBIMEKN-UHFFFAOYSA-N
Compound name
methyl 4-(aminomethyl)-4-fluorocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1165 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12378 141.3
[M+Na]+ 212.10572 146.7
[M-H]- 188.10922 142.5
[M+NH4]+ 207.15032 162.2
[M+K]+ 228.07966 145.8
[M+H-H2O]+ 172.11376 135.5
[M+HCOO]- 234.11470 160.4
[M+CH3COO]- 248.13035 183.3
[M+Na-2H]- 210.09117 144.3
[M]+ 189.11595 136.1
[M]- 189.11705 136.1
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

No patent data available for this compound.