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]+ 135.05530 125.8
[M+Na]+ 157.03724 137.3
[M-H]- 133.04074 127.1
[M+NH4]+ 152.08184 145.6
[M+K]+ 173.01118 134.3
[M+H-H2O]+ 117.04528 113.6
[M+HCOO]- 179.04622 145.7
[M+CH3COO]- 193.06187 183.3
[M+Na-2H]- 155.02269 130.6
[M]+ 134.04747 120.7
[M]- 134.04857 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.