CID 40975

4-hydroxy-3-(hydroxymethyl)benzaldehyde

Structural Information

Molecular Formula
C8H8O3
SMILES
C1=CC(=C(C=C1C=O)CO)O
InChI
InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-4,10-11H,5H2
InChIKey
SCXZNYRQOPBUTM-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(hydroxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

152.04735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.7
[M+Na]+ 175.03657 141.2
[M+NH4]+ 170.08117 136.4
[M+K]+ 191.01051 135.8
[M-H]- 151.04007 129.4
[M+Na-2H]- 173.02202 134.6
[M]+ 152.04680 130.5
[M]- 152.04790 130.5
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