CID 101028431

Dtxsid701369810

Structural Information

Molecular Formula
C21H34O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OCC=C
InChI
InChI=1S/C21H34O/c1-3-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)22-19-4-2/h4,15-18H,2-3,5-14,19H2,1H3
InChIKey
OFOCRMJDGJKCJT-UHFFFAOYSA-N
Compound name
1-dodecyl-4-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.26096 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26824 180.4
[M+Na]+ 325.25018 183.9
[M-H]- 301.25368 182.0
[M+NH4]+ 320.29478 195.7
[M+K]+ 341.22412 178.9
[M+H-H2O]+ 285.25822 172.6
[M+HCOO]- 347.25916 201.3
[M+CH3COO]- 361.27481 209.8
[M+Na-2H]- 323.23563 181.4
[M]+ 302.26041 185.8
[M]- 302.26151 185.8
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.