CID 3062785

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

Structural Information

Molecular Formula
C9H13BrO
SMILES
C1CCC(CC1)C(C#CBr)O
InChI
InChI=1S/C9H13BrO/c10-7-6-9(11)8-4-2-1-3-5-8/h8-9,11H,1-5H2
InChIKey
SPWRFOMBVXONPV-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclohexylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.022256 140.6
[M+Na]+ 239.004198 151.1
[M-H]- 215.007704 142.4
[M+NH4]+ 234.048803 159.5
[M+K]+ 254.978138 138.8
[M+H-H2O]+ 199.012240 135.3
[M+HCOO]- 261.013181 153.9
[M+CH3COO]- 275.028831 189.2
[M+Na-2H]- 236.989646 144.7
[M]+ 216.01443142 147.2
[M]- 216.01552858 147.2
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.