CID 4321798

Dec-1-en-4-yne

Structural Information

Molecular Formula
C10H16
SMILES
CCCCCC#CCC=C
InChI
InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-6,8,10H2,2H3
InChIKey
VIHLRKUNALRENO-UHFFFAOYSA-N
Compound name
dec-1-en-4-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

136.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.9
[M+Na]+ 159.11442 138.7
[M-H]- 135.11792 129.4
[M+NH4]+ 154.15902 149.8
[M+K]+ 175.08836 135.7
[M+H-H2O]+ 119.12246 119.5
[M+HCOO]- 181.12340 147.4
[M+CH3COO]- 195.13905 184.4
[M+Na-2H]- 157.09987 134.8
[M]+ 136.12465 126.1
[M]- 136.12575 126.1
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