CID 103902

51555-02-3

Structural Information

Molecular Formula
C24H32O
SMILES
CCCCCCCC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)OCCC
InChI
InChI=1S/C24H32O/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)20(3)23-15-17-24(18-16-23)25-19-5-2/h11-18H,3-10,19H2,1-2H3
InChIKey
FCRRHENEPCOJGE-UHFFFAOYSA-N
Compound name
1-heptyl-4-[1-(4-propoxyphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.24533 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25261 187.7
[M+Na]+ 359.23455 191.7
[M-H]- 335.23805 192.9
[M+NH4]+ 354.27915 201.2
[M+K]+ 375.20849 185.9
[M+H-H2O]+ 319.24259 178.7
[M+HCOO]- 381.24353 208.0
[M+CH3COO]- 395.25918 216.2
[M+Na-2H]- 357.22000 187.5
[M]+ 336.24478 191.0
[M]- 336.24588 191.0
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.