CID 20378083

1-(azetidin-1-yl)-2-hydroxyethan-1-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CN(C1)C(=O)CO
InChI
InChI=1S/C5H9NO2/c7-4-5(8)6-2-1-3-6/h7H,1-4H2
InChIKey
CUBIWYRZDPJKMX-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

115.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.3
[M+Na]+ 138.052548 126.9
[M-H]- 114.056054 122.1
[M+NH4]+ 133.097153 135.3
[M+K]+ 154.026488 129.7
[M+H-H2O]+ 98.060590 110.8
[M+HCOO]- 160.061531 140.7
[M+CH3COO]- 174.077181 169.1
[M+Na-2H]- 136.037996 126.9
[M]+ 115.06278142 128.1
[M]- 115.06387858 128.1
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