CID 3041339

53948-44-0

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1=C(C(=CC=C1)CC(CO)O)OC
InChI
InChI=1S/C11H16O3/c1-8-4-3-5-9(11(8)14-2)6-10(13)7-12/h3-5,10,12-13H,6-7H2,1-2H3
InChIKey
WZLCEHIVYQVRHF-UHFFFAOYSA-N
Compound name
3-(2-methoxy-3-methylphenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 143.1
[M+Na]+ 219.099158 150.3
[M-H]- 195.102664 144.3
[M+NH4]+ 214.143763 161.6
[M+K]+ 235.073098 148.3
[M+H-H2O]+ 179.107200 137.7
[M+HCOO]- 241.108141 163.7
[M+CH3COO]- 255.123791 181.4
[M+Na-2H]- 217.084606 146.6
[M]+ 196.10939142 144.5
[M]- 196.11048858 144.5
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

No patent data available for this compound.