CID 54488815

(but-3-yn-2-yl)cyclohexane

Structural Information

Molecular Formula
C10H16
SMILES
CC(C#C)C1CCCCC1
InChI
InChI=1S/C10H16/c1-3-9(2)10-7-5-4-6-8-10/h1,9-10H,4-8H2,2H3
InChIKey
JIXMCUJGRXYFNF-UHFFFAOYSA-N
Compound name
but-3-yn-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

136.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 131.0
[M+Na]+ 159.11442 138.1
[M-H]- 135.11792 132.6
[M+NH4]+ 154.15902 150.3
[M+K]+ 175.08836 134.5
[M+H-H2O]+ 119.12246 120.0
[M+HCOO]- 181.12340 144.9
[M+CH3COO]- 195.13905 183.6
[M+Na-2H]- 157.09987 134.2
[M]+ 136.12465 121.1
[M]- 136.12575 121.1
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.