CID 132398590

2168391-80-6

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CC1(CN(C1=O)C)CCl
InChI
InChI=1S/C6H10ClNO/c1-6(3-7)4-8(2)5(6)9/h3-4H2,1-2H3
InChIKey
PRUVHEIBYOLAAG-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04509 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 122.2
[M+Na]+ 170.034308 131.8
[M-H]- 146.037814 125.1
[M+NH4]+ 165.078913 139.3
[M+K]+ 186.008248 132.2
[M+H-H2O]+ 130.042350 114.5
[M+HCOO]- 192.043291 139.3
[M+CH3COO]- 206.058941 178.1
[M+Na-2H]- 168.019756 128.9
[M]+ 147.04454142 133.2
[M]- 147.04563858 133.2
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

No patent data available for this compound.