CID 165442367

1-[2-(hydroxymethyl)azetidin-1-yl]propan-1-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCC(=O)N1CCC1CO
InChI
InChI=1S/C7H13NO2/c1-2-7(10)8-4-3-6(8)5-9/h6,9H,2-5H2,1H3
InChIKey
MLAJNCUOBOPEJH-UHFFFAOYSA-N
Compound name
1-[2-(hydroxymethyl)azetidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.9
[M+Na]+ 166.08386 137.2
[M+NH4]+ 161.12846 135.0
[M+K]+ 182.05780 134.8
[M-H]- 142.08736 128.5
[M+Na-2H]- 164.06931 132.7
[M]+ 143.09409 130.2
[M]- 143.09519 130.2
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

No patent data available for this compound.