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]+ 186.148866 143.0
[M+Na]+ 208.130808 148.0
[M-H]- 184.134314 145.5
[M+NH4]+ 203.175413 164.2
[M+K]+ 224.104748 147.3
[M+H-H2O]+ 168.138850 138.0
[M+HCOO]- 230.139791 162.9
[M+CH3COO]- 244.155441 183.7
[M+Na-2H]- 206.116256 146.2
[M]+ 185.14104142 139.4
[M]- 185.14213858 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.