CID 58109966

Tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCOC(=O)CC1(CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H22N2O4/c1-5-17-9(15)6-12(13)7-14(8-12)10(16)18-11(2,3)4/h5-8,13H2,1-4H3
InChIKey
XPXLMLCRLYNVBC-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

258.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 165.3
[M+Na]+ 281.147178 169.1
[M-H]- 257.150684 166.6
[M+NH4]+ 276.191783 175.9
[M+K]+ 297.121118 172.6
[M+H-H2O]+ 241.155220 154.7
[M+HCOO]- 303.156161 182.0
[M+CH3COO]- 317.171811 199.4
[M+Na-2H]- 279.132626 166.8
[M]+ 258.15741142 175.9
[M]- 258.15850858 175.9
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

patents stripe