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
2
Annotation Hits

0
References

17
Patents

127.02694 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.034216 122.2
[M+Na]+ 150.016158 130.7
[M-H]- 126.019664 121.1
[M+NH4]+ 145.060763 142.7
[M+K]+ 165.990098 128.6
[M+H-H2O]+ 110.024200 117.2
[M+HCOO]- 172.025141 142.8
[M+CH3COO]- 186.040791 161.4
[M+Na-2H]- 148.001606 126.7
[M]+ 127.02639142 119.5
[M]- 127.02748858 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