CID 9855448

4-methylazetidin-2-one

Structural Information

Molecular Formula
C4H7NO
SMILES
CC1CC(=O)N1
InChI
InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKey
XMSFNEZQRPOHAR-UHFFFAOYSA-N
Compound name
4-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

85.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 112.2
[M+Na]+ 108.04198 119.5
[M-H]- 84.045489 113.5
[M+NH4]+ 103.08659 127.9
[M+K]+ 124.01592 121.7
[M+H-H2O]+ 68.050025 102.6
[M+HCOO]- 130.05097 132.7
[M+CH3COO]- 144.06662 165.1
[M+Na-2H]- 106.02743 119.1
[M]+ 85.052216 118.3
[M]- 85.053314 118.3
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