CID 21345781

1-methylazetidin-3-one hydrochloride

Structural Information

Molecular Formula
C4H7NO
SMILES
CN1CC(=O)C1
InChI
InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3
InChIKey
YPACESJCWQAHBF-UHFFFAOYSA-N
Compound name
1-methylazetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

85.052765 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 110.2
[M+Na]+ 108.041983 118.0
[M-H]- 84.045489 112.9
[M+NH4]+ 103.086588 126.6
[M+K]+ 124.015923 121.0
[M+H-H2O]+ 68.050025 100.5
[M+HCOO]- 130.050966 132.2
[M+CH3COO]- 144.066616 167.8
[M+Na-2H]- 106.027431 117.8
[M]+ 85.05221642 118.2
[M]- 85.05331358 118.2
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