CID 49009

Benzoic acid, 2-(cyclopentylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(COC(=O)C1=CC=CC=C1)NC2CCCC2
InChI
InChI=1S/C15H21NO2/c1-12(16-14-9-5-6-10-14)11-18-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKey
YBKXYTIXSKLDBF-UHFFFAOYSA-N
Compound name
2-(cyclopentylamino)propyl 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]+ 248.16451 160.0
[M+Na]+ 270.14645 162.7
[M-H]- 246.14995 165.5
[M+NH4]+ 265.19105 177.9
[M+K]+ 286.12039 160.6
[M+H-H2O]+ 230.15449 152.5
[M+HCOO]- 292.15543 181.6
[M+CH3COO]- 306.17108 194.7
[M+Na-2H]- 268.13190 160.9
[M]+ 247.15668 157.4
[M]- 247.15778 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.