CID 8991

2-hydroxy-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H8O3
SMILES
COC1=CC=CC(=C1O)C=O
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
InChIKey
JJVNINGBHGBWJH-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

129
References

4810
Patents

152.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.1
[M+Na]+ 175.03657 141.2
[M+NH4]+ 170.08117 136.2
[M+K]+ 191.01051 135.5
[M-H]- 151.04007 129.4
[M+Na-2H]- 173.02202 134.7
[M]+ 152.04680 130.2
[M]- 152.04790 130.2
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