CID 549973

2-methyl-2-undecene

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CCCCCCCCC=C(C)C

InChI

InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3

InChIKey

SMDXUIYTBVHJNX-UHFFFAOYSA-N

Compound name

2-methylundec-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 168.1878 Da
Monoisotopic Mass: 6.5
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	144.4
[M+Na]+	191.17702	154.6
[M+NH4]+	186.22162	152.5
[M+K]+	207.15096	146.9
[M-H]-	167.18052	144.5
[M+Na-2H]-	189.16247	147.6
[M]+	168.18725	145.7
[M]-	168.18835	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe