CID 12715794

2-amino-5-(dimethylamino)benzoic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C)C1=CC(=C(C=C1)N)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,10H2,1-2H3,(H,12,13)
InChIKey
RLGUSSRKLREISB-UHFFFAOYSA-N
Compound name
2-amino-5-(dimethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

180.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.9
[M+Na]+ 203.07909 145.1
[M-H]- 179.08259 141.7
[M+NH4]+ 198.12369 157.3
[M+K]+ 219.05303 144.3
[M+H-H2O]+ 163.08713 131.8
[M+HCOO]- 225.08807 162.5
[M+CH3COO]- 239.10372 187.8
[M+Na-2H]- 201.06454 141.6
[M]+ 180.08932 136.9
[M]- 180.09042 136.9
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