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]+ 137.132476 131.0
[M+Na]+ 159.114418 138.1
[M-H]- 135.117924 132.6
[M+NH4]+ 154.159023 150.3
[M+K]+ 175.088358 134.5
[M+H-H2O]+ 119.122460 120.0
[M+HCOO]- 181.123401 144.9
[M+CH3COO]- 195.139051 183.6
[M+Na-2H]- 157.099866 134.2
[M]+ 136.12465142 121.1
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe