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

45
Patents

127.02694 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe