CID 137964333

Methyl 3-(chloromethyl)-1-cyclobutylazetidine-3-carboxylate

Structural Information

Molecular Formula
C10H16ClNO2
SMILES
COC(=O)C1(CN(C1)C2CCC2)CCl
InChI
InChI=1S/C10H16ClNO2/c1-14-9(13)10(5-11)6-12(7-10)8-3-2-4-8/h8H,2-7H2,1H3
InChIKey
IESZSZDWSGPJHT-UHFFFAOYSA-N
Compound name
methyl 3-(chloromethyl)-1-cyclobutylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08696 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09424 135.4
[M+Na]+ 240.07618 140.3
[M-H]- 216.07968 139.8
[M+NH4]+ 235.12078 142.2
[M+K]+ 256.05012 143.3
[M+H-H2O]+ 200.08422 122.3
[M+HCOO]- 262.08516 148.2
[M+CH3COO]- 276.10081 197.6
[M+Na-2H]- 238.06163 139.2
[M]+ 217.08641 152.9
[M]- 217.08751 152.9
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.