CID 84071734

Methyl2-(3-{[(tert-butoxy)carbonyl]amino}azetidin-3-yl)acetatehydrochloride

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)NC1(CNC1)CC(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-11(6-12-7-11)5-8(14)16-4/h12H,5-7H2,1-4H3,(H,13,15)
InChIKey
JXKWAWOXFPHAGG-UHFFFAOYSA-N
Compound name
methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 161.8
[M+Na]+ 267.13152 164.5
[M-H]- 243.13502 162.0
[M+NH4]+ 262.17612 172.0
[M+K]+ 283.10546 167.7
[M+H-H2O]+ 227.13956 151.1
[M+HCOO]- 289.14050 177.9
[M+CH3COO]- 303.15615 193.5
[M+Na-2H]- 265.11697 164.8
[M]+ 244.14175 170.7
[M]- 244.14285 170.7
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.