CID 10584643

3,4,5-trimethoxyphenethyl alcohol

Structural Information

Molecular Formula
C11H16O4
SMILES
COC1=CC(=CC(=C1OC)OC)CCO
InChI
InChI=1S/C11H16O4/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7,12H,4-5H2,1-3H3
InChIKey
CMHJWVUNNCFNOH-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

212.10486 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 144.4
[M+Na]+ 235.094078 153.1
[M-H]- 211.097584 147.3
[M+NH4]+ 230.138683 163.2
[M+K]+ 251.068018 152.1
[M+H-H2O]+ 195.102120 138.7
[M+HCOO]- 257.103061 167.7
[M+CH3COO]- 271.118711 186.4
[M+Na-2H]- 233.079526 149.1
[M]+ 212.10431142 150.2
[M]- 212.10540858 150.2
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