CID 20265939

P-dodecyl styrene

Structural Information

Molecular Formula
C20H32
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C=C
InChI
InChI=1S/C20H32/c1-3-5-6-7-8-9-10-11-12-13-14-20-17-15-19(4-2)16-18-20/h4,15-18H,2-3,5-14H2,1H3
InChIKey
WJNKJKGZKFOLOJ-UHFFFAOYSA-N
Compound name
1-dodecyl-4-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10517
Patents

272.2504 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 172.3
[M+Na]+ 295.239618 176.3
[M-H]- 271.243124 174.1
[M+NH4]+ 290.284223 188.9
[M+K]+ 311.213558 171.0
[M+H-H2O]+ 255.247660 165.0
[M+HCOO]- 317.248601 193.3
[M+CH3COO]- 331.264251 205.0
[M+Na-2H]- 293.225066 173.9
[M]+ 272.24985142 175.9
[M]- 272.25094858 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe