CID 122500

Dtxsid8067527

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC1=CC=C(C=C1)C=CC(OC)OC
InChI
InChI=1S/C17H26O2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18-2)19-3/h9-14,17H,4-8H2,1-3H3
InChIKey
JOGSEXPLVUGVOJ-UHFFFAOYSA-N
Compound name
1-(3,3-dimethoxyprop-1-enyl)-4-hexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 165.7
[M+Na]+ 285.18249 177.3
[M+NH4]+ 280.22709 173.2
[M+K]+ 301.15643 169.2
[M-H]- 261.18599 167.5
[M+Na-2H]- 283.16794 170.9
[M]+ 262.19272 167.8
[M]- 262.19382 167.8
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.