CID 6434907

66596-48-3

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C)CC(/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O
InChI
InChI=1S/C16H24O4/c1-11(2)8-13(17)7-6-12-9-14(18-3)16(20-5)15(10-12)19-4/h6-7,9-11,13,17H,8H2,1-5H3/b7-6+
InChIKey
AXDIIKRMSJUGOR-VOTSOKGWSA-N
Compound name
(E)-5-methyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 166.5
[M+Na]+ 303.156668 172.9
[M-H]- 279.160174 168.7
[M+NH4]+ 298.201273 182.4
[M+K]+ 319.130608 171.2
[M+H-H2O]+ 263.164710 160.2
[M+HCOO]- 325.165651 186.4
[M+CH3COO]- 339.181301 201.7
[M+Na-2H]- 301.142116 166.1
[M]+ 280.16690142 172.1
[M]- 280.16799858 172.1
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.