CID 137951582

3-(chloromethyl)-1-cyclopropyl-3-methylazetidin-2-one

Structural Information

Molecular Formula
C8H12ClNO
SMILES
CC1(CN(C1=O)C2CC2)CCl
InChI
InChI=1S/C8H12ClNO/c1-8(4-9)5-10(7(8)11)6-2-3-6/h6H,2-5H2,1H3
InChIKey
FZDCOFJQRDYZAS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-cyclopropyl-3-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.068026 132.1
[M+Na]+ 196.049968 142.1
[M-H]- 172.053474 138.3
[M+NH4]+ 191.094573 143.4
[M+K]+ 212.023908 141.6
[M+H-H2O]+ 156.058010 123.1
[M+HCOO]- 218.058951 148.6
[M+CH3COO]- 232.074601 185.7
[M+Na-2H]- 194.035416 137.7
[M]+ 173.06020142 144.3
[M]- 173.06129858 144.3
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.