CID 14496262

Dtxsid601289560

Structural Information

Molecular Formula
C10H14
SMILES
CC(=CC/C=C(/C)\C#C)C
InChI
InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8-
InChIKey
AJUDLCRYEGKSIL-NTMALXAHSA-N
Compound name
(3Z)-3,7-dimethylocta-3,6-dien-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

134.10954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 131.7
[M+Na]+ 157.098758 140.3
[M-H]- 133.102264 131.5
[M+NH4]+ 152.143363 151.6
[M+K]+ 173.072698 137.5
[M+H-H2O]+ 117.106800 121.5
[M+HCOO]- 179.107741 147.6
[M+CH3COO]- 193.123391 184.9
[M+Na-2H]- 155.084206 134.2
[M]+ 134.10899142 126.0
[M]- 134.11008858 126.0
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.