CID 139023951

2137597-32-9

Structural Information

Molecular Formula
C10H16ClNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)OCCl
InChI
InChI=1S/C10H16ClNO4/c1-10(2,3)16-9(14)12-4-7(5-12)8(13)15-6-11/h7H,4-6H2,1-3H3
InChIKey
VMTJXHSITCFQMG-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-(chloromethyl) azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07678 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08406 150.3
[M+Na]+ 272.06600 156.2
[M-H]- 248.06950 152.2
[M+NH4]+ 267.11060 160.9
[M+K]+ 288.03994 158.0
[M+H-H2O]+ 232.07404 140.2
[M+HCOO]- 294.07498 163.3
[M+CH3COO]- 308.09063 193.4
[M+Na-2H]- 270.05145 152.6
[M]+ 249.07623 163.6
[M]- 249.07733 163.6
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.