CID 23426966

5-((5z,8z,11z)-heptadeca-5,8,11-trien-1-yl)resorcinol

Structural Information

Molecular Formula
C23H34O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,12-13,18-20,24-25H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
YABYVJPKSFTCBG-QNEBEIHSSA-N
Compound name
5-[(5Z,8Z,11Z)-heptadeca-5,8,11-trienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2559 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 190.4
[M+Na]+ 365.24512 193.8
[M-H]- 341.24862 189.3
[M+NH4]+ 360.28972 202.9
[M+K]+ 381.21906 185.9
[M+H-H2O]+ 325.25316 183.0
[M+HCOO]- 387.25410 208.3
[M+CH3COO]- 401.26975 210.2
[M+Na-2H]- 363.23057 188.7
[M]+ 342.25535 192.9
[M]- 342.25645 192.9
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.