CID 2543159

1-(azetidin-1-yl)-2-chloroethan-1-one

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C1CN(C1)C(=O)CCl
InChI
InChI=1S/C5H8ClNO/c6-4-5(8)7-2-1-3-7/h1-4H2
InChIKey
DLDWKQVABUJWBD-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

133.02943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 119.6
[M+Na]+ 156.01865 126.7
[M-H]- 132.02215 121.5
[M+NH4]+ 151.06325 134.6
[M+K]+ 171.99259 127.8
[M+H-H2O]+ 116.02669 110.0
[M+HCOO]- 178.02763 135.9
[M+CH3COO]- 192.04328 173.6
[M+Na-2H]- 154.00410 125.7
[M]+ 133.02888 128.5
[M]- 133.02998 128.5
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