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-chloro-2-pyridinyl)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]+ 185.047616 130.3
[M+Na]+ 207.029558 139.0
[M-H]- 183.033064 132.8
[M+NH4]+ 202.074163 141.6
[M+K]+ 223.003498 137.8
[M+H-H2O]+ 167.037600 118.7
[M+HCOO]- 229.038541 145.2
[M+CH3COO]- 243.054191 180.8
[M+Na-2H]- 205.015006 136.7
[M]+ 184.03979142 138.8
[M]- 184.04088858 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