CID 12560725

4-(hydroxymethyl)azetidin-2-one

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1C(NC1=O)CO
InChI
InChI=1S/C4H7NO2/c6-2-3-1-4(7)5-3/h3,6H,1-2H2,(H,5,7)
InChIKey
YTUSUDPOSFRAEO-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

101.047676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 116.6
[M+Na]+ 124.03689 123.2
[M-H]- 100.04040 116.4
[M+NH4]+ 119.08150 130.7
[M+K]+ 140.01083 124.9
[M+H-H2O]+ 84.044936 106.7
[M+HCOO]- 146.04588 135.7
[M+CH3COO]- 160.06153 164.6
[M+Na-2H]- 122.02234 122.7
[M]+ 101.04713 122.2
[M]- 101.04822 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe