CID 6446799

1-penten-3-ol, 4-methyl-1-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)C(/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C15H22O4/c1-10(2)12(16)7-6-11-8-13(17-3)15(19-5)14(9-11)18-4/h6-10,12,16H,1-5H3/b7-6+
InChIKey
SJWYLBIDXWSXKG-VOTSOKGWSA-N
Compound name
(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 161.8
[M+Na]+ 289.141018 168.7
[M-H]- 265.144524 164.2
[M+NH4]+ 284.185623 178.3
[M+K]+ 305.114958 167.2
[M+H-H2O]+ 249.149060 155.7
[M+HCOO]- 311.150001 182.0
[M+CH3COO]- 325.165651 198.7
[M+Na-2H]- 287.126466 161.9
[M]+ 266.15125142 167.0
[M]- 266.15234858 167.0
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.