CID 139026733

2361645-56-7

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NOC(=O)N1
InChI
InChI=1S/C8H13N3O4/c1-8(2,3)14-6(12)9-4-5-10-7(13)15-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKey
OAHZRMTZLIBFMK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0906 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 145.9
[M+Na]+ 238.07982 153.8
[M-H]- 214.08332 146.7
[M+NH4]+ 233.12442 161.5
[M+K]+ 254.05376 153.9
[M+H-H2O]+ 198.08786 139.2
[M+HCOO]- 260.08880 166.2
[M+CH3COO]- 274.10445 183.1
[M+Na-2H]- 236.06527 152.0
[M]+ 215.09005 148.4
[M]- 215.09115 148.4
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.