CID 162345386

Ns00133352

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1=C(C(=C(C=C1)O)NC2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C15H15NO3/c1-9-7-8-13(17)14(10(9)2)16-12-6-4-3-5-11(12)15(18)19/h3-8,16-17H,1-2H3,(H,18,19)
InChIKey
OXGJQQVQRXZJOO-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-2,3-dimethylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 157.3
[M+Na]+ 280.094418 165.2
[M-H]- 256.097924 162.2
[M+NH4]+ 275.139023 172.8
[M+K]+ 296.068358 161.1
[M+H-H2O]+ 240.102460 150.4
[M+HCOO]- 302.103401 179.1
[M+CH3COO]- 316.119051 196.1
[M+Na-2H]- 278.079866 160.2
[M]+ 257.10465142 156.9
[M]- 257.10574858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.