CID 135635023

3-tert-butyl-1,2,4-oxadiazol-5-ol

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC(C)(C)C1=NOC(=O)N1
InChI
InChI=1S/C6H10N2O2/c1-6(2,3)4-7-5(9)10-8-4/h1-3H3,(H,7,8,9)
InChIKey
KPLBMUMCVZXMAC-UHFFFAOYSA-N
Compound name
3-tert-butyl-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

142.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.3
[M+Na]+ 165.06345 137.3
[M-H]- 141.06695 128.3
[M+NH4]+ 160.10805 146.5
[M+K]+ 181.03739 137.0
[M+H-H2O]+ 125.07149 121.8
[M+HCOO]- 187.07243 147.6
[M+CH3COO]- 201.08808 169.0
[M+Na-2H]- 163.04890 135.0
[M]+ 142.07368 128.5
[M]- 142.07478 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