CID 62962040

Methyl 4-amino-5-cyclohexylpentanoate hydrochloride

Structural Information

Molecular Formula
C12H23NO2
SMILES
COC(=O)CCC(CC1CCCCC1)N
InChI
InChI=1S/C12H23NO2/c1-15-12(14)8-7-11(13)9-10-5-3-2-4-6-10/h10-11H,2-9,13H2,1H3
InChIKey
PGGHXJSPFWPOBV-UHFFFAOYSA-N
Compound name
methyl 4-amino-5-cyclohexylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 153.7
[M+Na]+ 236.162098 155.6
[M-H]- 212.165604 155.1
[M+NH4]+ 231.206703 171.3
[M+K]+ 252.136038 154.6
[M+H-H2O]+ 196.170140 147.1
[M+HCOO]- 258.171081 171.9
[M+CH3COO]- 272.186731 189.9
[M+Na-2H]- 234.147546 154.0
[M]+ 213.17233142 149.4
[M]- 213.17342858 149.4
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.