CID 87265

(prop-2-yn-1-yl)cyclohexane

Structural Information

Molecular Formula
C9H14
SMILES
C#CCC1CCCCC1
InChI
InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2
InChIKey
UARFKZSJGDQRLF-UHFFFAOYSA-N
Compound name
prop-2-ynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

581
Patents

122.10955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 125.8
[M+Na]+ 145.098768 133.5
[M-H]- 121.102274 127.5
[M+NH4]+ 140.143373 145.7
[M+K]+ 161.072708 129.9
[M+H-H2O]+ 105.106810 114.9
[M+HCOO]- 167.107751 140.9
[M+CH3COO]- 181.123401 180.2
[M+Na-2H]- 143.084216 130.8
[M]+ 122.10900142 116.2
[M]- 122.11009858 116.2
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