CID 11690102

9z-docosene

Structural Information

Molecular Formula

C₂₂H₄₄

SMILES

CCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-22H2,1-2H3/b19-17-

InChIKey

QYFUFIOTSNHLGT-ZPHPHTNESA-N

Compound name

(Z)-docos-9-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6400
Patents: 308.3443 Da
Monoisotopic Mass: 11.2
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]+	309.35158	189.7
[M+Na]+	331.33352	190.7
[M-H]-	307.33702	187.0
[M+NH4]+	326.37812	204.9
[M+K]+	347.30746	185.7
[M+H-H2O]+	291.34156	182.5
[M+HCOO]-	353.34250	208.4
[M+CH3COO]-	367.35815	214.1
[M+Na-2H]-	329.31897	188.2
[M]+	308.34375	196.3
[M]-	308.34485	196.3

Literature stripe

literature stripe

Patent stripe

patents stripe