CID 21915700

(2-aminophenyl)succinate

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H11NO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5,11H2,(H,12,13)(H,14,15)
InChIKey
BIMROQBWBJXECW-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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 144.8
[M+Na]+ 232.05802 153.4
[M+NH4]+ 227.10262 150.2
[M+K]+ 248.03196 150.9
[M-H]- 208.06152 144.0
[M+Na-2H]- 230.04347 147.9
[M]+ 209.06825 145.2
[M]- 209.06935 145.2
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