CID 89978

4-(dimethylamino)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
CN(C)C1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C9H11NO3/c1-10(2)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,1-2H3,(H,12,13)
InChIKey
SJIDPEUJSIWFAE-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

181.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.3
[M+Na]+ 204.06312 143.9
[M-H]- 180.06662 139.3
[M+NH4]+ 199.10772 155.5
[M+K]+ 220.03706 143.1
[M+H-H2O]+ 164.07116 130.7
[M+HCOO]- 226.07210 159.2
[M+CH3COO]- 240.08775 183.0
[M+Na-2H]- 202.04857 140.4
[M]+ 181.07335 136.7
[M]- 181.07445 136.7
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