CID 79128

1-ethynylcyclohexene

Structural Information

Molecular Formula
C8H10
SMILES
C#CC1=CCCCC1
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKey
DKFHWNGVMWFBJE-UHFFFAOYSA-N
Compound name
1-ethynylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1194
Patents

106.07825 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08553 123.7
[M+Na]+ 129.06747 135.9
[M+NH4]+ 124.11207 130.1
[M+K]+ 145.04141 125.9
[M-H]- 105.07097 118.6
[M+Na-2H]- 127.05292 127.9
[M]+ 106.07770 123.2
[M]- 106.07880 123.2
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