CID 307455

171088-75-8

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C12H15NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKey
YXCPMPAALKOYQA-UHFFFAOYSA-N
Compound name
4-(4-ethoxyanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.4
[M+Na]+ 260.089328 158.0
[M-H]- 236.092834 154.5
[M+NH4]+ 255.133933 168.9
[M+K]+ 276.063268 156.4
[M+H-H2O]+ 220.097370 145.8
[M+HCOO]- 282.098311 174.8
[M+CH3COO]- 296.113961 191.4
[M+Na-2H]- 258.074776 155.7
[M]+ 237.09956142 154.1
[M]- 237.10065858 154.1
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

patents stripe