CID 550136

2,2-dimethyloct-3-ene

Structural Information

Molecular Formula
C10H20
SMILES
CCCCC=CC(C)(C)C
InChI
InChI=1S/C10H20/c1-5-6-7-8-9-10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKey
PWMYBNYORINWQV-UHFFFAOYSA-N
Compound name
2,2-dimethyloct-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

140.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 135.2
[M+Na]+ 163.145718 141.8
[M-H]- 139.149224 135.4
[M+NH4]+ 158.190323 157.6
[M+K]+ 179.119658 140.6
[M+H-H2O]+ 123.153760 131.3
[M+HCOO]- 185.154701 156.5
[M+CH3COO]- 199.170351 177.6
[M+Na-2H]- 161.131166 141.0
[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