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

57
Patents

150.07932 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 127.4
[M+Na]+ 173.068538 134.3
[M-H]- 149.072044 129.9
[M+NH4]+ 168.113143 138.8
[M+K]+ 189.042478 135.0
[M+H-H2O]+ 133.076580 115.0
[M+HCOO]- 195.077521 146.7
[M+CH3COO]- 209.093171 176.0
[M+Na-2H]- 171.053986 134.7
[M]+ 150.07877142 133.7
[M]- 150.07986858 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