CID 129849866

Nonadecatrienylresorcinol

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCCCCCCCCCCCC=CC=CC=CC1=C(C=CC=C1O)O
InChI
InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-24(26)21-19-22-25(23)27/h14-22,26-27H,2-13H2,1H3
InChIKey
WAFVZPQGWKLEOK-UHFFFAOYSA-N
Compound name
2-nonadeca-1,3,5-trienylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.28717 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 199.1
[M+Na]+ 393.27639 201.7
[M-H]- 369.27989 197.7
[M+NH4]+ 388.32099 210.5
[M+K]+ 409.25033 193.3
[M+H-H2O]+ 353.28443 191.3
[M+HCOO]- 415.28537 216.3
[M+CH3COO]- 429.30102 216.2
[M+Na-2H]- 391.26184 196.4
[M]+ 370.28662 202.4
[M]- 370.28772 202.4
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

No patent data available for this compound.