CID 41560

55723-99-4

Structural Information

Molecular Formula
C9H13Cl
SMILES
C1CCC(CC1)C#CCCl
InChI
InChI=1S/C9H13Cl/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-3,5-6,8H2
InChIKey
XDPVEYOYMRUDJB-UHFFFAOYSA-N
Compound name
3-chloroprop-1-ynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07057 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07785 132.3
[M+Na]+ 179.05979 141.2
[M-H]- 155.06329 134.0
[M+NH4]+ 174.10439 151.9
[M+K]+ 195.03373 135.4
[M+H-H2O]+ 139.06783 122.2
[M+HCOO]- 201.06877 143.5
[M+CH3COO]- 215.08442 182.5
[M+Na-2H]- 177.04524 136.8
[M]+ 156.07002 124.3
[M]- 156.07112 124.3
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

No patent data available for this compound.