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

3
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.3
[M+Na]+ 260.08933 162.6
[M+NH4]+ 255.13393 159.0
[M+K]+ 276.06327 158.3
[M-H]- 236.09283 153.3
[M+Na-2H]- 258.07478 157.2
[M]+ 237.09956 154.2
[M]- 237.10066 154.2
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