CID 137614

2,6-dimethylocta-2,6-diene

Structural Information

Molecular Formula
C10H18
SMILES
CC=C(C)CCC=C(C)C
InChI
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3
InChIKey
MZPDTOMKQCMETI-UHFFFAOYSA-N
Compound name
2,6-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9684
Patents

138.14085 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe