CID 544714

5-methyl-6-methylidenedecane

Structural Information

Molecular Formula
C12H24
SMILES
CCCCC(C)C(=C)CCCC
InChI
InChI=1S/C12H24/c1-5-7-9-11(3)12(4)10-8-6-2/h12H,3,5-10H2,1-2,4H3
InChIKey
ZPVCSXMAYSEYLT-UHFFFAOYSA-N
Compound name
5-methyl-6-methylidenedecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

168.1878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 145.3
[M+Na]+ 191.177018 149.9
[M-H]- 167.180524 144.8
[M+NH4]+ 186.221623 166.1
[M+K]+ 207.150958 148.5
[M+H-H2O]+ 151.185060 140.3
[M+HCOO]- 213.186001 165.3
[M+CH3COO]- 227.201651 186.3
[M+Na-2H]- 189.162466 146.8
[M]+ 168.18725142 146.9
[M]- 168.18834858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe