CID 184728

2-(hydroxymethyl)benzaldehyde

Structural Information

Molecular Formula
C8H8O2
SMILES
C1=CC=C(C(=C1)CO)C=O
InChI
InChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-5,10H,6H2
InChIKey
XVHIUKSUZLPFCP-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

794
Patents

136.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 125.4
[M+Na]+ 159.04165 138.6
[M+NH4]+ 154.08625 134.1
[M+K]+ 175.01559 132.2
[M-H]- 135.04515 127.2
[M+Na-2H]- 157.02710 132.7
[M]+ 136.05188 127.7
[M]- 136.05298 127.7
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