CID 5365950

2,3,6-trimethyl-4-octene

Structural Information

Molecular Formula
C11H22
SMILES
CCC(C)/C=C/C(C)C(C)C
InChI
InChI=1S/C11H22/c1-6-10(4)7-8-11(5)9(2)3/h7-11H,6H2,1-5H3/b8-7+
InChIKey
BPHPRVXZLWQTOR-BQYQJAHWSA-N
Compound name
(E)-2,3,6-trimethyloct-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.17215 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.17943 140.7
[M+Na]+ 177.16137 145.6
[M-H]- 153.16487 140.6
[M+NH4]+ 172.20597 162.1
[M+K]+ 193.13531 145.0
[M+H-H2O]+ 137.16941 136.1
[M+HCOO]- 199.17035 160.1
[M+CH3COO]- 213.18600 183.5
[M+Na-2H]- 175.14682 141.5
[M]+ 154.17160 141.2
[M]- 154.17270 141.2
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.