CID 12824126

77712-29-9

Structural Information

Molecular Formula
C19H32O4
SMILES
CC1=CC(=C(C(=C1CCCCCCCCCCO)O)OC)OC
InChI
InChI=1S/C19H32O4/c1-15-14-17(22-2)19(23-3)18(21)16(15)12-10-8-6-4-5-7-9-11-13-20/h14,20-21H,4-13H2,1-3H3
InChIKey
YYPSIPHPBFRNII-UHFFFAOYSA-N
Compound name
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

324.23007 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23735 181.3
[M+Na]+ 347.21929 186.9
[M-H]- 323.22279 181.6
[M+NH4]+ 342.26389 195.1
[M+K]+ 363.19323 183.2
[M+H-H2O]+ 307.22733 174.3
[M+HCOO]- 369.22827 200.2
[M+CH3COO]- 383.24392 209.1
[M+Na-2H]- 345.20474 180.5
[M]+ 324.22952 188.4
[M]- 324.23062 188.4
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