CID 15445384

N-(pyrrolidin-3-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CNCC1NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c14-11(9-4-2-1-3-5-9)13-10-6-7-12-8-10/h1-5,10,12H,6-8H2,(H,13,14)
InChIKey
FAVZGMWROXRERG-UHFFFAOYSA-N
Compound name
N-pyrrolidin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

142
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.1
[M+Na]+ 213.099828 146.6
[M-H]- 189.103334 145.4
[M+NH4]+ 208.144433 160.4
[M+K]+ 229.073768 143.4
[M+H-H2O]+ 173.107870 134.6
[M+HCOO]- 235.108811 163.1
[M+CH3COO]- 249.124461 179.8
[M+Na-2H]- 211.085276 146.0
[M]+ 190.11006142 136.0
[M]- 190.11115858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe