CID 497970

Tert-butyl (2s)-2-[3-(dimethylamino)-3-oxo-propyl]-3-oxo-azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(=O)[C@@H]1CCC(=O)N(C)C
InChI
InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)15-8-10(16)9(15)6-7-11(17)14(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
YDXUGSRRVMVTMV-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-[3-(dimethylamino)-3-oxopropyl]-3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 166.3
[M+Na]+ 293.14718 170.1
[M-H]- 269.15068 169.5
[M+NH4]+ 288.19178 175.5
[M+K]+ 309.12112 174.3
[M+H-H2O]+ 253.15522 154.2
[M+HCOO]- 315.15616 184.0
[M+CH3COO]- 329.17181 207.0
[M+Na-2H]- 291.13263 165.8
[M]+ 270.15741 178.8
[M]- 270.15851 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.