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

18
Patents

136.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 130.4
[M+Na]+ 159.114418 138.9
[M-H]- 135.117924 132.6
[M+NH4]+ 154.159023 151.8
[M+K]+ 175.088358 134.6
[M+H-H2O]+ 119.122460 120.2
[M+HCOO]- 181.123401 145.4
[M+CH3COO]- 195.139051 182.5
[M+Na-2H]- 157.099866 135.8
[M]+ 136.12465142 121.5
[M]- 136.12574858 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