CID 20836152

(z)-oct-5-en-1-yne

Structural Information

Molecular Formula
C8H12
SMILES
CC/C=C\CCC#C
InChI
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h1,6,8H,4-5,7H2,2H3/b8-6-
InChIKey
AQVJJJCTUUAYPG-VURMDHGXSA-N
Compound name
(Z)-oct-5-en-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

108.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.101176 121.6
[M+Na]+ 131.083118 131.0
[M-H]- 107.086624 121.4
[M+NH4]+ 126.127723 142.5
[M+K]+ 147.057058 128.6
[M+H-H2O]+ 91.091160 111.6
[M+HCOO]- 153.092101 139.6
[M+CH3COO]- 167.107751 179.6
[M+Na-2H]- 129.068566 127.5
[M]+ 108.09335142 117.2
[M]- 108.09444858 117.2
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

patents stripe