CID 3063589

2-propyn-1-ol, 3-chloro-1-cyclohexyl-

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]+ 173.072766 136.7
[M+Na]+ 195.054708 144.8
[M-H]- 171.058214 137.1
[M+NH4]+ 190.099313 154.9
[M+K]+ 211.028648 139.1
[M+H-H2O]+ 155.062750 126.8
[M+HCOO]- 217.063691 145.8
[M+CH3COO]- 231.079341 183.1
[M+Na-2H]- 193.040156 139.5
[M]+ 172.06494142 127.8
[M]- 172.06603858 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.