CID 21360967

1-ethyl-1-ethynylcyclohexane

Structural Information

Molecular Formula
C10H16
SMILES
CCC1(CCCCC1)C#C
InChI
InChI=1S/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h1H,4-9H2,2H3
InChIKey
UQQMJCOBMDJCPN-UHFFFAOYSA-N
Compound name
1-ethyl-1-ethynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 131.8
[M+Na]+ 159.11442 143.0
[M+NH4]+ 154.15902 139.2
[M+K]+ 175.08836 131.4
[M-H]- 135.11792 126.5
[M+Na-2H]- 157.09987 136.2
[M]+ 136.12465 131.2
[M]- 136.12575 131.2
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