CID 167717504

Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}azetidine-3-carboxylate, trifluoroacetic acid

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N(C)C1(CNC1)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13(4)11(6-12-7-11)8(14)16-5/h12H,6-7H2,1-5H3
InChIKey
CQSLNSICKBRWLI-UHFFFAOYSA-N
Compound name
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 161.1
[M+Na]+ 267.13152 164.1
[M-H]- 243.13502 162.8
[M+NH4]+ 262.17612 172.1
[M+K]+ 283.10546 168.7
[M+H-H2O]+ 227.13956 150.5
[M+HCOO]- 289.14050 177.8
[M+CH3COO]- 303.15615 196.8
[M+Na-2H]- 265.11697 163.5
[M]+ 244.14175 171.3
[M]- 244.14285 171.3
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.