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

29
Patents

258.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 165.3
[M+Na]+ 281.14718 169.1
[M-H]- 257.15068 166.6
[M+NH4]+ 276.19178 175.9
[M+K]+ 297.12112 172.6
[M+H-H2O]+ 241.15522 154.7
[M+HCOO]- 303.15616 182.0
[M+CH3COO]- 317.17181 199.4
[M+Na-2H]- 279.13263 166.8
[M]+ 258.15741 175.9
[M]- 258.15851 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