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]+ 174.06803 132.1
[M+Na]+ 196.04997 142.1
[M-H]- 172.05347 138.3
[M+NH4]+ 191.09457 143.4
[M+K]+ 212.02391 141.6
[M+H-H2O]+ 156.05801 123.1
[M+HCOO]- 218.05895 148.6
[M+CH3COO]- 232.07460 185.7
[M+Na-2H]- 194.03542 137.7
[M]+ 173.06020 144.3
[M]- 173.06130 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.