CID 170912846

Tert-butyl n-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]carbamate

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CC(C)(C)OC(=O)NCC(=O)N1CC(C1)N
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)12-4-8(14)13-5-7(11)6-13/h7H,4-6,11H2,1-3H3,(H,12,15)
InChIKey
SWSDWFOYKJCMAO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14264 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14992 159.3
[M+Na]+ 252.13186 162.0
[M-H]- 228.13536 160.4
[M+NH4]+ 247.17646 168.5
[M+K]+ 268.10580 165.4
[M+H-H2O]+ 212.13990 146.5
[M+HCOO]- 274.14084 177.2
[M+CH3COO]- 288.15649 196.9
[M+Na-2H]- 250.11731 160.2
[M]+ 229.14209 166.4
[M]- 229.14319 166.4
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.