CID 52988114

1-(piperidin-4-yl)azetidin-3-ol

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CNCCC1N2CC(C2)O
InChI
InChI=1S/C8H16N2O/c11-8-5-10(6-8)7-1-3-9-4-2-7/h7-9,11H,1-6H2
InChIKey
MHCWBHMMWDDZFI-UHFFFAOYSA-N
Compound name
1-piperidin-4-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

156.12627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 133.8
[M+Na]+ 179.11549 137.1
[M-H]- 155.11899 133.9
[M+NH4]+ 174.16009 144.0
[M+K]+ 195.08943 137.8
[M+H-H2O]+ 139.12353 121.5
[M+HCOO]- 201.12447 147.4
[M+CH3COO]- 215.14012 174.6
[M+Na-2H]- 177.10094 137.5
[M]+ 156.12572 134.1
[M]- 156.12682 134.1
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