CID 3033132

2-octene, 2-(3,5-dimethoxyphenyl)-3-methyl-

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCC/C(=C(/C)\C1=CC(=CC(=C1)OC)OC)/C
InChI
InChI=1S/C17H26O2/c1-6-7-8-9-13(2)14(3)15-10-16(18-4)12-17(11-15)19-5/h10-12H,6-9H2,1-5H3/b14-13-
InChIKey
SOMYANHMIYLVPD-YPKPFQOOSA-N
Compound name
1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 165.3
[M+Na]+ 285.182488 171.0
[M-H]- 261.185994 168.4
[M+NH4]+ 280.227093 182.5
[M+K]+ 301.156428 168.6
[M+H-H2O]+ 245.190530 158.7
[M+HCOO]- 307.191471 185.9
[M+CH3COO]- 321.207121 201.9
[M+Na-2H]- 283.167936 165.4
[M]+ 262.19272142 169.8
[M]- 262.19381858 169.8
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.