CID 123571

2,3,4-trimethoxybenzyl alcohol

Structural Information

Molecular Formula
C10H14O4
SMILES
COC1=C(C(=C(C=C1)CO)OC)OC
InChI
InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
InChIKey
DGJVVEVPKPOLEV-UHFFFAOYSA-N
Compound name
(2,3,4-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

198.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 139.7
[M+Na]+ 221.078418 148.9
[M-H]- 197.081924 142.8
[M+NH4]+ 216.123023 159.1
[M+K]+ 237.052358 148.1
[M+H-H2O]+ 181.086460 134.2
[M+HCOO]- 243.087401 163.4
[M+CH3COO]- 257.103051 183.4
[M+Na-2H]- 219.063866 144.9
[M]+ 198.08865142 145.1
[M]- 198.08974858 145.1
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