CID 12314118

5-((z)-undec-3-en-1-yl)resorcinol

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CCCCCCC/C=C\CCC1=CC(=CC(=C1)O)O

InChI

InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3/b9-8-

InChIKey

KBZMDBAMUVCKBO-HJWRWDBZSA-N

Compound name

5-[(Z)-undec-3-enyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.19327 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.200546	166.1
[M+Na]+	285.182488	171.4
[M-H]-	261.185994	166.1
[M+NH4]+	280.227093	182.0
[M+K]+	301.156428	166.2
[M+H-H2O]+	245.190530	159.7
[M+HCOO]-	307.191471	185.6
[M+CH3COO]-	321.207121	195.1
[M+Na-2H]-	283.167936	167.6
[M]+	262.19272142	168.0
[M]-	262.19381858	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe