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]+ 148.05237 122.2
[M+Na]+ 170.03431 131.8
[M-H]- 146.03781 125.1
[M+NH4]+ 165.07891 139.3
[M+K]+ 186.00825 132.2
[M+H-H2O]+ 130.04235 114.5
[M+HCOO]- 192.04329 139.3
[M+CH3COO]- 206.05894 178.1
[M+Na-2H]- 168.01976 128.9
[M]+ 147.04454 133.2
[M]- 147.04564 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.