CID 135527508

5-hydroxypyrrole-2-carboxylate

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1=C(NC(=C1)O)C(=O)O
InChI
InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-2,6-7H,(H,8,9)
InChIKey
QAJSFWNJRLTBCG-UHFFFAOYSA-N
Compound name
5-hydroxy-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

127.02694 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 122.2
[M+Na]+ 150.01616 130.7
[M-H]- 126.01966 121.1
[M+NH4]+ 145.06076 142.7
[M+K]+ 165.99010 128.6
[M+H-H2O]+ 110.02420 117.2
[M+HCOO]- 172.02514 142.8
[M+CH3COO]- 186.04079 161.4
[M+Na-2H]- 148.00161 126.7
[M]+ 127.02639 119.5
[M]- 127.02749 119.5
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