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]+ 244.12918 155.1
[M+Na]+ 266.11112 162.2
[M-H]- 242.11462 155.6
[M+NH4]+ 261.15572 169.6
[M+K]+ 282.08506 161.8
[M+H-H2O]+ 226.11916 148.0
[M+HCOO]- 288.12010 174.7
[M+CH3COO]- 302.13575 189.1
[M+Na-2H]- 264.09657 160.1
[M]+ 243.12135 158.3
[M]- 243.12245 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.