CID 60082973

Methyl 2-[(1r,4r)-4-(aminomethyl)cyclohexyl]acetate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)CC1CCC(CC1)CN
InChI
InChI=1S/C10H19NO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h8-9H,2-7,11H2,1H3
InChIKey
AJTIAFZCKWPBBR-UHFFFAOYSA-N
Compound name
methyl 2-[4-(aminomethyl)cyclohexyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 143.8
[M+Na]+ 208.130808 147.7
[M-H]- 184.134314 145.9
[M+NH4]+ 203.175413 162.9
[M+K]+ 224.104748 146.8
[M+H-H2O]+ 168.138850 137.7
[M+HCOO]- 230.139791 163.6
[M+CH3COO]- 244.155441 184.1
[M+Na-2H]- 206.116256 145.7
[M]+ 185.14104142 139.8
[M]- 185.14213858 139.8
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