CID 118466

33369-46-9

Structural Information

Molecular Formula
C11H15NO4
SMILES
CCOC(=O)CC1=C(C(=CN1C)C)C(=O)O
InChI
InChI=1S/C11H15NO4/c1-4-16-9(13)5-8-10(11(14)15)7(2)6-12(8)3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey
YVNJDVHARWCERO-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

225.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.4
[M+Na]+ 248.089328 157.1
[M-H]- 224.092834 150.0
[M+NH4]+ 243.133933 166.9
[M+K]+ 264.063268 155.8
[M+H-H2O]+ 208.097370 142.7
[M+HCOO]- 270.098311 169.5
[M+CH3COO]- 284.113961 188.5
[M+Na-2H]- 246.074776 148.5
[M]+ 225.09956142 152.6
[M]- 225.10065858 152.6
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

patents stripe