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]+ 155.179426 140.7
[M+Na]+ 177.161368 145.6
[M-H]- 153.164874 140.6
[M+NH4]+ 172.205973 162.1
[M+K]+ 193.135308 145.0
[M+H-H2O]+ 137.169410 136.1
[M+HCOO]- 199.170351 160.1
[M+CH3COO]- 213.186001 183.5
[M+Na-2H]- 175.146816 141.5
[M]+ 154.17160142 141.2
[M]- 154.17269858 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.