CID 167727667

Tert-butyl n-[3-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl]carbamate

Structural Information

Molecular Formula
C10H17N3O4
SMILES
CC(C)(C)OC(=O)NCCCC1=NNC(=O)O1
InChI
InChI=1S/C10H17N3O4/c1-10(2,3)17-8(14)11-6-4-5-7-12-13-9(15)16-7/h4-6H2,1-3H3,(H,11,14)(H,13,15)
InChIKey
IEGWTQQHHDOEMX-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1219 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.129176 155.1
[M+Na]+ 266.111118 162.2
[M-H]- 242.114624 155.6
[M+NH4]+ 261.155723 169.6
[M+K]+ 282.085058 161.8
[M+H-H2O]+ 226.119160 148.0
[M+HCOO]- 288.120101 174.7
[M+CH3COO]- 302.135751 189.1
[M+Na-2H]- 264.096566 160.1
[M]+ 243.12135142 158.3
[M]- 243.12244858 158.3
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.