CID 19974

2,6-dimethyl-2-octene

Structural Information

Molecular Formula
C10H20
SMILES
CCC(C)CCC=C(C)C
InChI
InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3
InChIKey
WQNLWKDARWVSKE-UHFFFAOYSA-N
Compound name
2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3834
Patents

140.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 136.1
[M+Na]+ 163.145718 141.6
[M-H]- 139.149224 136.0
[M+NH4]+ 158.190323 158.0
[M+K]+ 179.119658 140.8
[M+H-H2O]+ 123.153760 131.6
[M+HCOO]- 185.154701 156.8
[M+CH3COO]- 199.170351 179.6
[M+Na-2H]- 161.131166 138.7
[M]+ 140.15595142 136.8
[M]- 140.15704858 136.8
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