CID 60693677

N-[3-(hydroxymethyl)phenyl]-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CN2)CO
InChI
InChI=1S/C12H12N2O2/c15-8-9-3-1-4-10(7-9)14-12(16)11-5-2-6-13-11/h1-7,13,15H,8H2,(H,14,16)
InChIKey
VGHFOQBLBLWYIW-UHFFFAOYSA-N
Compound name
N-[3-(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.7
[M+Na]+ 239.079088 153.2
[M-H]- 215.082594 149.7
[M+NH4]+ 234.123693 163.7
[M+K]+ 255.053028 149.0
[M+H-H2O]+ 199.087130 139.4
[M+HCOO]- 261.088071 169.0
[M+CH3COO]- 275.103721 183.0
[M+Na-2H]- 237.064536 151.0
[M]+ 216.08932142 143.8
[M]- 216.09041858 143.8
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.