CID 18780203

Dtxsid101369886

Structural Information

Molecular Formula
C21H34O
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)/C=C/C
InChI
InChI=1S/C21H34O/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-17-21(22)20(18-19)14-4-2/h4,14,16-18,22H,3,5-13,15H2,1-2H3/b14-4+
InChIKey
RKDMAZHGZYLXJR-LNKIKWGQSA-N
Compound name
4-dodecyl-2-[(E)-prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26824 180.4
[M+Na]+ 325.25018 184.5
[M-H]- 301.25368 181.1
[M+NH4]+ 320.29478 195.4
[M+K]+ 341.22412 178.6
[M+H-H2O]+ 285.25822 173.2
[M+HCOO]- 347.25916 199.9
[M+CH3COO]- 361.27481 207.7
[M+Na-2H]- 323.23563 180.3
[M]+ 302.26041 184.2
[M]- 302.26151 184.2
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.