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

13
Patents

134.10954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 131.8
[M+Na]+ 157.09876 142.2
[M+NH4]+ 152.14336 136.3
[M+K]+ 173.07270 133.2
[M-H]- 133.10226 123.7
[M+Na-2H]- 155.08421 132.7
[M]+ 134.10899 130.0
[M]- 134.11009 130.0
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.