CID 68646527

Methyl 3-(1-aminocyclohexyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)CCC1(CCCCC1)N
InChI
InChI=1S/C10H19NO2/c1-13-9(12)5-8-10(11)6-3-2-4-7-10/h2-8,11H2,1H3
InChIKey
NDYACYLLNUSTGP-UHFFFAOYSA-N
Compound name
methyl 3-(1-aminocyclohexyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 143.8
[M+Na]+ 208.130808 147.8
[M-H]- 184.134314 145.9
[M+NH4]+ 203.175413 164.7
[M+K]+ 224.104748 147.1
[M+H-H2O]+ 168.138850 138.5
[M+HCOO]- 230.139791 163.7
[M+CH3COO]- 244.155441 182.5
[M+Na-2H]- 206.116256 147.6
[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