CID 17203

4-hydroxy-3-methoxy-alpha-methylbenzyl alcohol

Structural Information

Molecular Formula
C9H12O3
SMILES
CC(C1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,10-11H,1-2H3
InChIKey
BDRRAMWDUCXAKG-UHFFFAOYSA-N
Compound name
4-(1-hydroxyethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

200
Patents

168.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 133.8
[M+Na]+ 191.067858 141.8
[M-H]- 167.071364 135.3
[M+NH4]+ 186.112463 153.4
[M+K]+ 207.041798 140.3
[M+H-H2O]+ 151.075900 128.8
[M+HCOO]- 213.076841 155.0
[M+CH3COO]- 227.092491 175.3
[M+Na-2H]- 189.053306 138.4
[M]+ 168.07809142 134.4
[M]- 168.07918858 134.4
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