CID 65652663

Methyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC1CCC(CC1)(CN)C(=O)OC
InChI
InChI=1S/C10H19NO2/c1-8-3-5-10(7-11,6-4-8)9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKey
YWJOYFGNOOFBFQ-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.0
[M+Na]+ 208.13081 148.0
[M-H]- 184.13431 145.5
[M+NH4]+ 203.17541 164.2
[M+K]+ 224.10475 147.3
[M+H-H2O]+ 168.13885 138.0
[M+HCOO]- 230.13979 162.9
[M+CH3COO]- 244.15544 183.7
[M+Na-2H]- 206.11626 146.2
[M]+ 185.14104 139.4
[M]- 185.14214 139.4
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.