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

16
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 131.7
[M+Na]+ 157.09876 140.3
[M-H]- 133.10226 131.5
[M+NH4]+ 152.14336 151.6
[M+K]+ 173.07270 137.5
[M+H-H2O]+ 117.10680 121.5
[M+HCOO]- 179.10774 147.6
[M+CH3COO]- 193.12339 184.9
[M+Na-2H]- 155.08421 134.2
[M]+ 134.10899 126.0
[M]- 134.11009 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.