CID 12444628

83258-37-1

Structural Information

Molecular Formula
C21H32O2
SMILES
CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKey
RMTXUPIIESNLPW-UTOQUPLUSA-N
Compound name
3-[(8Z,11Z)-pentadeca-8,11-dienyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 183.6
[M+Na]+ 339.22945 194.0
[M+NH4]+ 334.27405 189.4
[M+K]+ 355.20339 184.8
[M-H]- 315.23295 184.1
[M+Na-2H]- 337.21490 186.4
[M]+ 316.23968 185.0
[M]- 316.24078 185.0
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