CID 20378092

1-(2-hydroxyethyl)azetidin-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CN(C1=O)CCO
InChI
InChI=1S/C5H9NO2/c7-4-3-6-2-1-5(6)8/h7H,1-4H2
InChIKey
SLFOEEOQPLJIPX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

115.06333 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 119.3
[M+Na]+ 138.05255 126.0
[M-H]- 114.05605 120.4
[M+NH4]+ 133.09715 133.7
[M+K]+ 154.02649 128.4
[M+H-H2O]+ 98.060590 109.2
[M+HCOO]- 160.06153 139.7
[M+CH3COO]- 174.07718 170.1
[M+Na-2H]- 136.03800 125.6
[M]+ 115.06278 127.2
[M]- 115.06388 127.2
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