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

184
Patents

133.02943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 119.6
[M+Na]+ 156.018648 126.7
[M-H]- 132.022154 121.5
[M+NH4]+ 151.063253 134.6
[M+K]+ 171.992588 127.8
[M+H-H2O]+ 116.026690 110.0
[M+HCOO]- 178.027631 135.9
[M+CH3COO]- 192.043281 173.6
[M+Na-2H]- 154.004096 125.7
[M]+ 133.02888142 128.5
[M]- 133.02997858 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