CID 545635

3,4-dimethyl-1-decene

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCC(C)C(C)C=C
InChI
InChI=1S/C12H24/c1-5-7-8-9-10-12(4)11(3)6-2/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKey
UQFBFCHTLWGJAE-UHFFFAOYSA-N
Compound name
3,4-dimethyldec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

168.1878 Da
Monoisotopic Mass

5.7
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

literature stripe

Patent stripe

patents stripe