CID 69433414

1-(pyridin-3-yl)azetidin-3-ol

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1C(CN1C2=CN=CC=C2)O
InChI
InChI=1S/C8H10N2O/c11-8-5-10(6-8)7-2-1-3-9-4-7/h1-4,8,11H,5-6H2
InChIKey
LNQYTUZIUHHHCG-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

150.07932 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 127.4
[M+Na]+ 173.06854 134.3
[M-H]- 149.07204 129.9
[M+NH4]+ 168.11314 138.8
[M+K]+ 189.04248 135.0
[M+H-H2O]+ 133.07658 115.0
[M+HCOO]- 195.07752 146.7
[M+CH3COO]- 209.09317 176.0
[M+Na-2H]- 171.05399 134.7
[M]+ 150.07877 133.7
[M]- 150.07987 133.7
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