CID 25244188

5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether

Structural Information

Molecular Formula
C22H32O2
SMILES
COC1=CC(=CC(=C1)O)CCCCCCC/C=C\C/C=C\CC=C
InChI
InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(18-20)24-2/h3,5-6,8-9,17-19,23H,1,4,7,10-16H2,2H3/b6-5-,9-8-
InChIKey
GKGSHNPKQBMHTD-AFJQJTPPSA-N
Compound name
3-methoxy-5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

328.24023 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.247506 185.3
[M+Na]+ 351.229448 189.6
[M-H]- 327.232954 185.8
[M+NH4]+ 346.274053 199.1
[M+K]+ 367.203388 182.8
[M+H-H2O]+ 311.237490 177.8
[M+HCOO]- 373.238431 205.0
[M+CH3COO]- 387.254081 210.4
[M+Na-2H]- 349.214896 184.7
[M]+ 328.23968142 189.5
[M]- 328.24077858 189.5
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