CID 16098483

3-amino-2-hydroxy-n,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

180.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.1
[M+Na]+ 203.079088 145.5
[M-H]- 179.082594 142.0
[M+NH4]+ 198.123693 157.6
[M+K]+ 219.053028 144.6
[M+H-H2O]+ 163.087130 132.1
[M+HCOO]- 225.088071 162.8
[M+CH3COO]- 239.103721 187.2
[M+Na-2H]- 201.064536 141.9
[M]+ 180.08932142 137.1
[M]- 180.09041858 137.1
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