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]+ 144.101916 130.7
[M+Na]+ 166.083858 136.3
[M-H]- 142.087364 131.5
[M+NH4]+ 161.128463 143.9
[M+K]+ 182.057798 138.6
[M+H-H2O]+ 126.091900 120.1
[M+HCOO]- 188.092841 149.3
[M+CH3COO]- 202.108491 176.1
[M+Na-2H]- 164.069306 134.4
[M]+ 143.09409142 138.5
[M]- 143.09518858 138.5
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.