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 126.8
[M+Na]+ 157.03724 137.9
[M+NH4]+ 152.08184 131.1
[M+K]+ 173.01118 131.0
[M-H]- 133.04074 119.8
[M+Na-2H]- 155.02269 129.5
[M]+ 134.04747 125.3
[M]- 134.04857 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.