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

45
Patents

115.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.3
[M+Na]+ 138.05255 126.9
[M-H]- 114.05605 122.1
[M+NH4]+ 133.09715 135.3
[M+K]+ 154.02649 129.7
[M+H-H2O]+ 98.060590 110.8
[M+HCOO]- 160.06153 140.7
[M+CH3COO]- 174.07718 169.1
[M+Na-2H]- 136.03800 126.9
[M]+ 115.06278 128.1
[M]- 115.06388 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