CID 95695

2-hydroxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H8O3
SMILES
COC1=CC(=C(C=C1)O)C=O
InChI
InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey
FZHSPPYCNDYIKD-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

1908
Patents

152.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 126.6
[M+Na]+ 175.036568 136.1
[M-H]- 151.040074 129.8
[M+NH4]+ 170.081173 147.6
[M+K]+ 191.010508 134.6
[M+H-H2O]+ 135.044610 121.6
[M+HCOO]- 197.045551 151.0
[M+CH3COO]- 211.061201 173.1
[M+Na-2H]- 173.022016 133.6
[M]+ 152.04680142 128.7
[M]- 152.04789858 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