CID 8183

1-dodecene

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCCCCCC=C

InChI

InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3

InChIKey

CRSBERNSMYQZNG-UHFFFAOYSA-N

Compound name

dodec-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 484
References: 122653
Patents: 168.1878 Da
Monoisotopic Mass: 6.8
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	143.8
[M+Na]+	191.17702	154.3
[M+NH4]+	186.22162	152.0
[M+K]+	207.15096	145.8
[M-H]-	167.18052	144.1
[M+Na-2H]-	189.16247	147.4
[M]+	168.18725	145.3
[M]-	168.18835	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe