CID 3062785

98958-90-8

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]+ 217.02226 140.6
[M+Na]+ 239.00420 151.1
[M-H]- 215.00770 142.4
[M+NH4]+ 234.04880 159.5
[M+K]+ 254.97814 138.8
[M+H-H2O]+ 199.01224 135.3
[M+HCOO]- 261.01318 153.9
[M+CH3COO]- 275.02883 189.2
[M+Na-2H]- 236.98965 144.7
[M]+ 216.01443 147.2
[M]- 216.01553 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.