CID 130831643

1-(6-chloropyridin-2-yl)azetidin-3-ol

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1C(CN1C2=NC(=CC=C2)Cl)O
InChI
InChI=1S/C8H9ClN2O/c9-7-2-1-3-8(10-7)11-4-6(12)5-11/h1-3,6,12H,4-5H2
InChIKey
SJUKCKDMTMJTKJ-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-2-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

184.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 130.3
[M+Na]+ 207.02956 139.0
[M-H]- 183.03306 132.8
[M+NH4]+ 202.07416 141.6
[M+K]+ 223.00350 137.8
[M+H-H2O]+ 167.03760 118.7
[M+HCOO]- 229.03854 145.2
[M+CH3COO]- 243.05419 180.8
[M+Na-2H]- 205.01501 136.7
[M]+ 184.03979 138.8
[M]- 184.04089 138.8
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