CID 81549

7120-86-7

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC(C)(C)C1=NNC(=O)O1
InChI
InChI=1S/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9)
InChIKey
RDYYZFFSCOVWIM-UHFFFAOYSA-N
Compound name
5-tert-butyl-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

142.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 127.3
[M+Na]+ 165.063448 137.3
[M-H]- 141.066954 128.3
[M+NH4]+ 160.108053 146.5
[M+K]+ 181.037388 137.0
[M+H-H2O]+ 125.071490 121.8
[M+HCOO]- 187.072431 147.6
[M+CH3COO]- 201.088081 169.0
[M+Na-2H]- 163.048896 135.0
[M]+ 142.07368142 128.5
[M]- 142.07477858 128.5
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

patents stripe