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 130.4
[M+Na]+ 159.11442 138.9
[M-H]- 135.11792 132.6
[M+NH4]+ 154.15902 151.8
[M+K]+ 175.08836 134.6
[M+H-H2O]+ 119.12246 120.2
[M+HCOO]- 181.12340 145.4
[M+CH3COO]- 195.13905 182.5
[M+Na-2H]- 157.09987 135.8
[M]+ 136.12465 121.5
[M]- 136.12575 121.5
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