CID 50775

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

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(CNC1CCCC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c1-11(10-17-14-4-2-3-5-14)19-15(18)12-6-8-13(16)9-7-12/h6-9,11,14,17H,2-5,10,16H2,1H3
InChIKey
NBPLSBSQFQHXKU-UHFFFAOYSA-N
Compound name
1-(cyclopentylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.0
[M+Na]+ 285.15734 165.7
[M-H]- 261.16084 168.3
[M+NH4]+ 280.20194 179.9
[M+K]+ 301.13128 163.3
[M+H-H2O]+ 245.16538 155.2
[M+HCOO]- 307.16632 184.9
[M+CH3COO]- 321.18197 200.4
[M+Na-2H]- 283.14279 162.8
[M]+ 262.16757 159.0
[M]- 262.16867 159.0
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.