CID 178244156

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

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CNC(=C1)C=C(C(=O)O)O
InChI
InChI=1S/C7H7NO3/c9-6(7(10)11)4-5-2-1-3-8-5/h1-4,8-9H,(H,10,11)
InChIKey
FABDRJMPILLUOO-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 131.5
[M+Na]+ 176.031808 138.3
[M-H]- 152.035314 129.8
[M+NH4]+ 171.076413 150.5
[M+K]+ 192.005748 135.6
[M+H-H2O]+ 136.039850 126.0
[M+HCOO]- 198.040791 150.6
[M+CH3COO]- 212.056441 165.6
[M+Na-2H]- 174.017256 134.4
[M]+ 153.04204142 127.7
[M]- 153.04313858 127.7
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.