CID 605610

62558-67-2

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)O)O
InChI
InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
InChIKey
GTGJPSXOXNMQKV-UHFFFAOYSA-N
Compound name
4-(4-hydroxyanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

70
Patents

209.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.7
[M+Na]+ 232.05802 149.7
[M-H]- 208.06152 144.7
[M+NH4]+ 227.10262 160.6
[M+K]+ 248.03196 147.7
[M+H-H2O]+ 192.06606 137.7
[M+HCOO]- 254.06700 165.2
[M+CH3COO]- 268.08265 183.0
[M+Na-2H]- 230.04347 147.5
[M]+ 209.06825 142.8
[M]- 209.06935 142.8
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