CID 223386

Glutaranilic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1=CC=C(C=C1)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H13NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChIKey
NUDGFGBJFZEEEJ-UHFFFAOYSA-N
Compound name
5-anilino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

133
Patents

207.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 145.6
[M+Na]+ 230.078758 150.8
[M-H]- 206.082264 147.5
[M+NH4]+ 225.123363 163.1
[M+K]+ 246.052698 148.8
[M+H-H2O]+ 190.086800 139.2
[M+HCOO]- 252.087741 168.1
[M+CH3COO]- 266.103391 185.0
[M+Na-2H]- 228.064206 150.0
[M]+ 207.08899142 145.1
[M]- 207.09008858 145.1
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