CID 138987872

2305255-46-1

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CC(C)(C)OC(=O)N(C)C1(CNC1)C(=O)N
InChI
InChI=1S/C10H19N3O3/c1-9(2,3)16-8(15)13(4)10(7(11)14)5-12-6-10/h12H,5-6H2,1-4H3,(H2,11,14)
InChIKey
HIVZMQAEIZPPID-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-carbamoylazetidin-3-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14264 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.149916 160.9
[M+Na]+ 252.131858 163.2
[M-H]- 228.135364 162.0
[M+NH4]+ 247.176463 171.6
[M+K]+ 268.105798 167.3
[M+H-H2O]+ 212.139900 149.5
[M+HCOO]- 274.140841 177.8
[M+CH3COO]- 288.156491 196.8
[M+Na-2H]- 250.117306 162.5
[M]+ 229.14209142 167.4
[M]- 229.14318858 167.4
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.