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]+ 214.18016 153.7
[M+Na]+ 236.16210 155.6
[M-H]- 212.16560 155.1
[M+NH4]+ 231.20670 171.3
[M+K]+ 252.13604 154.6
[M+H-H2O]+ 196.17014 147.1
[M+HCOO]- 258.17108 171.9
[M+CH3COO]- 272.18673 189.9
[M+Na-2H]- 234.14755 154.0
[M]+ 213.17233 149.4
[M]- 213.17343 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.