CID 522313

2,6-dimethyl 1,7-octadiene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4894
Patents

138.14085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 134.1
[M+Na]+ 161.130068 139.9
[M-H]- 137.133574 134.0
[M+NH4]+ 156.174673 156.0
[M+K]+ 177.104008 138.4
[M+H-H2O]+ 121.138110 129.6
[M+HCOO]- 183.139051 155.0
[M+CH3COO]- 197.154701 179.3
[M+Na-2H]- 159.115516 136.8
[M]+ 138.14030142 134.2
[M]- 138.14139858 134.2
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