CID 5362826

3-dodecene

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCCC/C=C/CC

InChI

InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5+

InChIKey

WLTSXAIICPDFKI-FNORWQNLSA-N

Compound name

(E)-dodec-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2722
Patents: 168.1878 Da
Monoisotopic Mass: 5.8
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]+	169.19508	143.9
[M+Na]+	191.17702	154.4
[M+NH4]+	186.22162	152.2
[M+K]+	207.15096	145.9
[M-H]-	167.18052	144.3
[M+Na-2H]-	189.16247	147.5
[M]+	168.18725	145.4
[M]-	168.18835	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe