CID 11521082

3-amino-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC(=C(C=C1C=O)N)O
InChI
InChI=1S/C7H7NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H,8H2
InChIKey
LMGGPKYAWHDOLR-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

392
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.1
[M+Na]+ 160.03690 133.3
[M-H]- 136.04040 126.8
[M+NH4]+ 155.08150 145.1
[M+K]+ 176.01084 131.0
[M+H-H2O]+ 120.04494 119.1
[M+HCOO]- 182.04588 148.9
[M+CH3COO]- 196.06153 172.3
[M+Na-2H]- 158.02235 130.8
[M]+ 137.04713 122.6
[M]- 137.04823 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