CID 90474212

4-octene, 2,6-dimethyl-, [s-(e)]-

Structural Information

Molecular Formula
C10H20
SMILES
CC[C@H](C)/C=C/CC(C)C
InChI
InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h6,8-10H,5,7H2,1-4H3/b8-6+/t10-/m0/s1
InChIKey
PBPBSFCZFRLBFJ-PCGIRMHASA-N
Compound name
(E,6S)-2,6-dimethyloct-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1565 Da
Monoisotopic Mass

4.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.