CID 165986495

3-(2-bromoethynyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C1C(CN1)(C#CBr)O
InChI
InChI=1S/C5H6BrNO/c6-2-1-5(8)3-7-4-5/h7-8H,3-4H2
InChIKey
JUAAWFLSXKJTFR-UHFFFAOYSA-N
Compound name
3-(2-bromoethynyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.96329 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97057 115.5
[M+Na]+ 197.95251 127.3
[M-H]- 173.95601 116.3
[M+NH4]+ 192.99711 130.7
[M+K]+ 213.92645 119.6
[M+H-H2O]+ 157.96055 107.5
[M+HCOO]- 219.96149 129.8
[M+CH3COO]- 233.97714 182.6
[M+Na-2H]- 195.93796 124.2
[M]+ 174.96274 131.1
[M]- 174.96384 131.1
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.