CID 14235910

5-(z-heptadec-8-enyl) resorcinol

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCCCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H38O2/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/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9-
InChIKey
DQSWQRFGZIJUCI-KTKRTIGZSA-N
Compound name
5-[(Z)-heptadec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

346.28717 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 192.9
[M+Na]+ 369.27639 195.5
[M-H]- 345.27989 191.7
[M+NH4]+ 364.32099 205.2
[M+K]+ 385.25033 188.8
[M+H-H2O]+ 329.28443 185.2
[M+HCOO]- 391.28537 210.3
[M+CH3COO]- 405.30102 213.0
[M+Na-2H]- 367.26184 191.2
[M]+ 346.28662 197.0
[M]- 346.28772 197.0
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