CID 11702450

79473-25-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.247506 182.8
[M+Na]+ 339.229448 186.7
[M-H]- 315.232954 182.1
[M+NH4]+ 334.274053 196.4
[M+K]+ 355.203388 179.9
[M+H-H2O]+ 299.237490 175.7
[M+HCOO]- 361.238431 201.1
[M+CH3COO]- 375.254081 205.6
[M+Na-2H]- 337.214896 182.2
[M]+ 316.23968142 185.4
[M]- 316.24077858 185.4
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