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]+ 175.970566 115.5
[M+Na]+ 197.952508 127.3
[M-H]- 173.956014 116.3
[M+NH4]+ 192.997113 130.7
[M+K]+ 213.926448 119.6
[M+H-H2O]+ 157.960550 107.5
[M+HCOO]- 219.961491 129.8
[M+CH3COO]- 233.977141 182.6
[M+Na-2H]- 195.937956 124.2
[M]+ 174.96274142 131.1
[M]- 174.96383858 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.