CID 22236735

3e,7-dimethyl-1,3,6-octatriene

Structural Information

Molecular Formula
C10H18
SMILES
CC/C(=C/CC=C(C)C)/C
InChI
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h7-8H,5-6H2,1-4H3/b10-8+
InChIKey
LQJJRPLOVQYMPJ-CSKARUKUSA-N
Compound name
(5E)-2,6-dimethylocta-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

138.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 134.4
[M+Na]+ 161.130068 140.4
[M-H]- 137.133574 134.5
[M+NH4]+ 156.174673 156.5
[M+K]+ 177.104008 139.0
[M+H-H2O]+ 121.138110 130.1
[M+HCOO]- 183.139051 155.4
[M+CH3COO]- 197.154701 177.9
[M+Na-2H]- 159.115516 137.1
[M]+ 138.14030142 134.4
[M]- 138.14139858 134.4
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

patents stripe