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]+ 230.14992 160.9
[M+Na]+ 252.13186 163.2
[M-H]- 228.13536 162.0
[M+NH4]+ 247.17646 171.6
[M+K]+ 268.10580 167.3
[M+H-H2O]+ 212.13990 149.5
[M+HCOO]- 274.14084 177.8
[M+CH3COO]- 288.15649 196.8
[M+Na-2H]- 250.11731 162.5
[M]+ 229.14209 167.4
[M]- 229.14319 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.