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 130.0
[M+Na]+ 173.03214 139.9
[M+NH4]+ 168.07674 133.4
[M+K]+ 189.00608 134.5
[M-H]- 149.03564 121.9
[M+Na-2H]- 171.01759 131.4
[M]+ 150.04237 128.0
[M]- 150.04347 128.0
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.