CID 121552408

5-cyano-2-methyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O2
SMILES
CC1=C(C=C(N1)C#N)C(=O)O
InChI
InChI=1S/C7H6N2O2/c1-4-6(7(10)11)2-5(3-8)9-4/h2,9H,1H3,(H,10,11)
InChIKey
IHLOUSURXOZVPT-UHFFFAOYSA-N
Compound name
5-cyano-2-methyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 131.1
[M+Na]+ 173.032138 141.7
[M-H]- 149.035644 131.2
[M+NH4]+ 168.076743 149.4
[M+K]+ 189.006078 139.0
[M+H-H2O]+ 133.040180 118.9
[M+HCOO]- 195.041121 148.9
[M+CH3COO]- 209.056771 183.7
[M+Na-2H]- 171.017586 134.2
[M]+ 150.04237142 124.9
[M]- 150.04346858 124.9
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.