CID 49007

Benzoic acid, (2-(cyclopentylamino)-1-methyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(CNC1CCCC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-12(11-16-14-9-5-6-10-14)18-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKey
OWHMMRUWFOYJCA-UHFFFAOYSA-N
Compound name
1-(cyclopentylamino)propan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 160.0
[M+Na]+ 270.146448 162.7
[M-H]- 246.149954 165.5
[M+NH4]+ 265.191053 177.9
[M+K]+ 286.120388 160.6
[M+H-H2O]+ 230.154490 152.5
[M+HCOO]- 292.155431 181.6
[M+CH3COO]- 306.171081 194.7
[M+Na-2H]- 268.131896 160.9
[M]+ 247.15668142 157.4
[M]- 247.15777858 157.4
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.