CID 6446801

1-hexen-3-ol, 5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C17H26O4
SMILES
CC(C)(C)CC(/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C17H26O4/c1-17(2,3)11-13(18)8-7-12-9-14(19-4)16(21-6)15(10-12)20-5/h7-10,13,18H,11H2,1-6H3/b8-7+
InChIKey
JYBFWKDFGZQINU-BQYQJAHWSA-N
Compound name
(E)-5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.190376 170.8
[M+Na]+ 317.172318 177.6
[M-H]- 293.175824 173.1
[M+NH4]+ 312.216923 186.5
[M+K]+ 333.146258 175.6
[M+H-H2O]+ 277.180360 164.9
[M+HCOO]- 339.181301 189.8
[M+CH3COO]- 353.196951 203.5
[M+Na-2H]- 315.157766 172.1
[M]+ 294.18255142 176.9
[M]- 294.18364858 176.9
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.