CID 3063312

3-butyn-2-ol, 4-bromo-2-cyclopropyl-

Structural Information

Molecular Formula
C7H9BrO
SMILES
CC(C#CBr)(C1CC1)O
InChI
InChI=1S/C7H9BrO/c1-7(9,4-5-8)6-2-3-6/h6,9H,2-3H2,1H3
InChIKey
PDNBKHWZNVPEDF-UHFFFAOYSA-N
Compound name
4-bromo-2-cyclopropylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99095 134.4
[M+Na]+ 210.97289 152.7
[M-H]- 186.97639 140.0
[M+NH4]+ 206.01749 152.3
[M+K]+ 226.94683 138.5
[M+H-H2O]+ 170.98093 131.4
[M+HCOO]- 232.98187 152.1
[M+CH3COO]- 246.99752 188.6
[M+Na-2H]- 208.95834 143.0
[M]+ 187.98312 148.1
[M]- 187.98422 148.1
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.