CID 178244191

2-hydroxy-3-(3-hydroxy-1h-pyrrol-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CNC(=C1O)C=C(C(=O)O)O
InChI
InChI=1S/C7H7NO4/c9-5-1-2-8-4(5)3-6(10)7(11)12/h1-3,8-10H,(H,11,12)
InChIKey
IYMZUTGUFBWSGO-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-hydroxy-1H-pyrrol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 134.3
[M+Na]+ 192.026718 141.4
[M-H]- 168.030224 131.6
[M+NH4]+ 187.071323 152.1
[M+K]+ 208.000658 138.4
[M+H-H2O]+ 152.034760 129.0
[M+HCOO]- 214.035701 152.1
[M+CH3COO]- 228.051351 166.7
[M+Na-2H]- 190.012166 136.0
[M]+ 169.03695142 130.4
[M]- 169.03804858 130.4
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

No patent data available for this compound.