CID 131336788

4-formyl-3-methyl-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
CC1=C(NC=C1C=O)C#N
InChI
InChI=1S/C7H6N2O/c1-5-6(4-10)3-9-7(5)2-8/h3-4,9H,1H3
InChIKey
OFUWVCSSFCGNNZ-UHFFFAOYSA-N
Compound name
4-formyl-3-methyl-1H-pyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.04802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 125.8
[M+Na]+ 157.037238 137.3
[M-H]- 133.040744 127.1
[M+NH4]+ 152.081843 145.6
[M+K]+ 173.011178 134.3
[M+H-H2O]+ 117.045280 113.6
[M+HCOO]- 179.046221 145.7
[M+CH3COO]- 193.061871 183.3
[M+Na-2H]- 155.022686 130.6
[M]+ 134.04747142 120.7
[M]- 134.04856858 120.7
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.