CID 409077

114255-20-8

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC(=C(C=C1N)O)C(=O)NO
InChI
InChI=1S/C7H8N2O3/c8-4-1-2-5(6(10)3-4)7(11)9-12/h1-3,10,12H,8H2,(H,9,11)
InChIKey
WHDQRCJAQZXAAX-UHFFFAOYSA-N
Compound name
4-amino-N,2-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

168.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.2
[M+Na]+ 191.042718 139.7
[M-H]- 167.046224 133.5
[M+NH4]+ 186.087323 150.6
[M+K]+ 207.016658 137.5
[M+H-H2O]+ 151.050760 126.6
[M+HCOO]- 213.051701 155.6
[M+CH3COO]- 227.067351 177.6
[M+Na-2H]- 189.028166 137.2
[M]+ 168.05295142 128.7
[M]- 168.05404858 128.7
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