CID 544747

2-butyl-1-octene

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCC(=C)CCCC
InChI
InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h3-11H2,1-2H3
InChIKey
MEUHELKJCGXSBF-UHFFFAOYSA-N
Compound name
5-methylideneundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

168.1878 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 144.3
[M+Na]+ 191.17702 154.4
[M+NH4]+ 186.22162 152.4
[M+K]+ 207.15096 146.7
[M-H]- 167.18052 144.4
[M+Na-2H]- 189.16247 147.5
[M]+ 168.18725 145.6
[M]- 168.18835 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe