CID 18008069

3-(hydroxymethyl)-5-methylphenol

Structural Information

Molecular Formula
C8H10O2
SMILES
CC1=CC(=CC(=C1)O)CO
InChI
InChI=1S/C8H10O2/c1-6-2-7(5-9)4-8(10)3-6/h2-4,9-10H,5H2,1H3
InChIKey
SDJQWNMVKBEBSJ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

138.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.1
[M+Na]+ 161.05730 139.1
[M+NH4]+ 156.10190 134.7
[M+K]+ 177.03124 133.3
[M-H]- 137.06080 127.7
[M+Na-2H]- 159.04275 132.7
[M]+ 138.06753 128.3
[M]- 138.06863 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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