CID 54684672

37772-85-3

Structural Information

Molecular Formula
C6H7NO4
SMILES
COC(=O)C1=C(CNC1=O)O
InChI
InChI=1S/C6H7NO4/c1-11-6(10)4-3(8)2-7-5(4)9/h8H,2H2,1H3,(H,7,9)
InChIKey
DANTWGGJJYWTIA-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0375 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 128.9
[M+Na]+ 180.02672 137.5
[M-H]- 156.03022 129.0
[M+NH4]+ 175.07132 149.0
[M+K]+ 196.00066 136.2
[M+H-H2O]+ 140.03476 123.7
[M+HCOO]- 202.03570 149.6
[M+CH3COO]- 216.05135 169.1
[M+Na-2H]- 178.01217 131.8
[M]+ 157.03695 128.0
[M]- 157.03805 128.0
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

No patent data available for this compound.