CID 55287504

Hydroxyminaline

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1=C(NC=C1O)C(=O)O
InChI
InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9)
InChIKey
FCGOBISRCUOUQH-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

127.02694 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 123.2
[M+Na]+ 150.01616 132.6
[M+NH4]+ 145.06076 129.7
[M+K]+ 165.99010 131.4
[M-H]- 126.01966 121.3
[M+Na-2H]- 148.00161 126.6
[M]+ 127.02639 123.5
[M]- 127.02749 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe