CID 59139773

1-(5-bromopyridin-2-yl)azetidin-3-ol

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C1C(CN1C2=NC=C(C=C2)Br)O
InChI
InChI=1S/C8H9BrN2O/c9-6-1-2-8(10-3-6)11-4-7(12)5-11/h1-3,7,12H,4-5H2
InChIKey
GVBCECQUXJWZEI-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-pyridinyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

227.98982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 130.4
[M+Na]+ 250.979038 141.2
[M-H]- 226.982544 135.9
[M+NH4]+ 246.023643 143.3
[M+K]+ 266.952978 133.4
[M+H-H2O]+ 210.987080 125.0
[M+HCOO]- 272.988021 147.9
[M+CH3COO]- 287.003671 187.2
[M+Na-2H]- 248.964486 138.7
[M]+ 227.98927142 154.9
[M]- 227.99036858 154.9
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

patents stripe