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]+ 151.05020 131.1
[M+Na]+ 173.03214 141.7
[M-H]- 149.03564 131.2
[M+NH4]+ 168.07674 149.4
[M+K]+ 189.00608 139.0
[M+H-H2O]+ 133.04018 118.9
[M+HCOO]- 195.04112 148.9
[M+CH3COO]- 209.05677 183.7
[M+Na-2H]- 171.01759 134.2
[M]+ 150.04237 124.9
[M]- 150.04347 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.