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-bromopyridin-2-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

227.98982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 130.4
[M+Na]+ 250.97904 141.2
[M-H]- 226.98254 135.9
[M+NH4]+ 246.02364 143.3
[M+K]+ 266.95298 133.4
[M+H-H2O]+ 210.98708 125.0
[M+HCOO]- 272.98802 147.9
[M+CH3COO]- 287.00367 187.2
[M+Na-2H]- 248.96449 138.7
[M]+ 227.98927 154.9
[M]- 227.99037 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