CID 5364450

(z)-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-ALCCZGGFSA-N

Compound name

(Z)-dodec-3-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4612
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	144.6
[M+Na]+	191.17702	149.8
[M-H]-	167.18052	144.0
[M+NH4]+	186.22162	165.6
[M+K]+	207.15096	147.6
[M+H-H2O]+	151.18506	139.5
[M+HCOO]-	213.18600	166.7
[M+CH3COO]-	227.20165	184.1
[M+Na-2H]-	189.16247	148.7
[M]+	168.18725	147.5
[M]-	168.18835	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe