CID 9543212

5-amino-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC(=C(C=C1N)C=O)O
InChI
InChI=1S/C7H7NO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H,8H2
InChIKey
BHLZAJPXLXRFAO-UHFFFAOYSA-N
Compound name
5-amino-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

137.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 124.1
[M+Na]+ 160.036898 133.3
[M-H]- 136.040404 126.8
[M+NH4]+ 155.081503 145.1
[M+K]+ 176.010838 131.0
[M+H-H2O]+ 120.044940 119.1
[M+HCOO]- 182.045881 148.9
[M+CH3COO]- 196.061531 172.3
[M+Na-2H]- 158.022346 130.8
[M]+ 137.04713142 122.6
[M]- 137.04822858 122.6
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