CID 3063589

101166-80-7

Structural Information

Molecular Formula
C9H13ClO
SMILES
C1CCC(CC1)C(C#CCl)O
InChI
InChI=1S/C9H13ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h8-9,11H,1-5H2
InChIKey
YCECLBULKKTCNY-UHFFFAOYSA-N
Compound name
3-chloro-1-cyclohexylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07277 136.7
[M+Na]+ 195.05471 144.8
[M-H]- 171.05821 137.1
[M+NH4]+ 190.09931 154.9
[M+K]+ 211.02865 139.1
[M+H-H2O]+ 155.06275 126.8
[M+HCOO]- 217.06369 145.8
[M+CH3COO]- 231.07934 183.1
[M+Na-2H]- 193.04016 139.5
[M]+ 172.06494 127.8
[M]- 172.06604 127.8
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

No patent data available for this compound.