CID 138039636

2241128-27-6

Structural Information

Molecular Formula
C6H8ClNO3
SMILES
CC(=O)OC1CN(C1)C(=O)Cl
InChI
InChI=1S/C6H8ClNO3/c1-4(9)11-5-2-8(3-5)6(7)10/h5H,2-3H2,1H3
InChIKey
MXAPUGMJIVGRRG-UHFFFAOYSA-N
Compound name
(1-carbonochloridoylazetidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.01927 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02655 128.6
[M+Na]+ 200.00849 136.0
[M-H]- 176.01199 130.9
[M+NH4]+ 195.05309 142.0
[M+K]+ 215.98243 137.7
[M+H-H2O]+ 160.01653 118.9
[M+HCOO]- 222.01747 144.3
[M+CH3COO]- 236.03312 180.8
[M+Na-2H]- 197.99394 132.3
[M]+ 177.01872 139.7
[M]- 177.01982 139.7
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.