CID 15719519

5-((7z,10z,13z,16z)-nonadeca-7,10,13,16-tetraen-1-yl)resorcinol

Structural Information

Molecular Formula
C25H36O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h3-4,6-7,9-10,12-13,20-22,26-27H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKey
JTGHOMGAWPTPRU-LTKCOYKYSA-N
Compound name
5-[(7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.27155 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 197.8
[M+Na]+ 391.26077 200.8
[M-H]- 367.26427 196.5
[M+NH4]+ 386.30537 209.3
[M+K]+ 407.23471 191.8
[M+H-H2O]+ 351.26881 190.2
[M+HCOO]- 413.26975 215.3
[M+CH3COO]- 427.28540 214.8
[M+Na-2H]- 389.24622 195.2
[M]+ 368.27100 200.3
[M]- 368.27210 200.3
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.