CID 13780813

4-formyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=C(NC=C1C=O)C(=O)O
InChI
InChI=1S/C6H5NO3/c8-3-4-1-5(6(9)10)7-2-4/h1-3,7H,(H,9,10)
InChIKey
IGQGTSFYIOGZRK-UHFFFAOYSA-N
Compound name
4-formyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

139.02695 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 126.7
[M+Na]+ 162.01617 136.5
[M+NH4]+ 157.06077 133.1
[M+K]+ 177.99011 134.7
[M-H]- 138.01967 125.1
[M+Na-2H]- 160.00162 130.3
[M]+ 139.02640 127.1
[M]- 139.02750 127.1
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

patents stripe