CID 3042766

Carbanilic acid, 2-(hexahydro-1h-azepin-1-yl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCCN(CC1)CCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c18-15(16-14-8-4-3-5-9-14)19-13-12-17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChIKey
XHPUIWKMZCHHRV-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.6
[M+Na]+ 285.15734 170.8
[M+NH4]+ 280.20194 169.1
[M+K]+ 301.13128 165.7
[M-H]- 261.16084 165.4
[M+Na-2H]- 283.14279 168.7
[M]+ 262.16757 164.3
[M]- 262.16867 164.3
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.