CID 13131455

3-(hydroxymethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
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

No literature data available for this compound.

Patent stripe

patents stripe