CID 2393641

N-(2-chloroacetyl)-1-methyl-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CN1C=CC=C1C(=O)NC(=O)CCl
InChI
InChI=1S/C8H9ClN2O2/c1-11-4-2-3-6(11)8(13)10-7(12)5-9/h2-4H,5H2,1H3,(H,10,12,13)
InChIKey
HYLCNIUWZLUPIA-UHFFFAOYSA-N
Compound name
N-(2-chloroacetyl)-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 141.5
[M+Na]+ 223.024468 150.1
[M-H]- 199.027974 144.1
[M+NH4]+ 218.069073 161.7
[M+K]+ 238.998408 147.2
[M+H-H2O]+ 183.032510 135.7
[M+HCOO]- 245.033451 161.0
[M+CH3COO]- 259.049101 183.4
[M+Na-2H]- 221.009916 144.5
[M]+ 200.03470142 143.7
[M]- 200.03579858 143.7
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.