CID 44149061

83846-84-8

Structural Information

Molecular Formula
C9H11NO4
SMILES
CN1C=CC(=C1CC(=O)OC)C(=O)O
InChI
InChI=1S/C9H11NO4/c1-10-4-3-6(9(12)13)7(10)5-8(11)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
BMNWMCNTXMXNRT-UHFFFAOYSA-N
Compound name
2-(2-methoxy-2-oxoethyl)-1-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.0
[M+Na]+ 220.058018 148.6
[M-H]- 196.061524 141.6
[M+NH4]+ 215.102623 159.3
[M+K]+ 236.031958 147.8
[M+H-H2O]+ 180.066060 134.3
[M+HCOO]- 242.067001 161.8
[M+CH3COO]- 256.082651 181.2
[M+Na-2H]- 218.043466 141.8
[M]+ 197.06825142 143.0
[M]- 197.06934858 143.0
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.