CID 125

4-hydroxybenzyl alcohol

Structural Information

Molecular Formula
C7H8O2
SMILES
C1=CC(=CC=C1CO)O
InChI
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

157
References

13455
Patents

124.05243 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 121.7
[M+Na]+ 147.04165 130.1
[M-H]- 123.04515 123.2
[M+NH4]+ 142.08625 142.9
[M+K]+ 163.01559 127.9
[M+H-H2O]+ 107.04969 117.1
[M+HCOO]- 169.05063 144.5
[M+CH3COO]- 183.06628 165.1
[M+Na-2H]- 145.02710 129.4
[M]+ 124.05188 120.4
[M]- 124.05298 120.4
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