CID 5356112

3-(8,11,14-pentadecatrienyl)phenol

Structural Information

Molecular Formula
C21H30O
SMILES
C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4+,8-7+
InChIKey
JOLVYUIAMRUBRK-AOSYACOCSA-N
Compound name
3-[(8E,11E)-pentadeca-8,11,14-trienyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

79
References

9328
Patents

298.22968 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23696 179.6
[M+Na]+ 321.21890 190.7
[M+NH4]+ 316.26350 186.1
[M+K]+ 337.19284 180.4
[M-H]- 297.22240 180.9
[M+Na-2H]- 319.20435 183.6
[M]+ 298.22913 181.4
[M]- 298.23023 181.4
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