CID 19786334

2126162-44-3

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC(C)(C)C1=NC(=NO1)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-7(2,3)6-8-4(5(10)11)9-12-6/h1-3H3,(H,10,11)
InChIKey
FHJXCPARNFHMSZ-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

170.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.3
[M+Na]+ 193.05836 143.4
[M-H]- 169.06186 135.2
[M+NH4]+ 188.10296 152.1
[M+K]+ 209.03230 143.9
[M+H-H2O]+ 153.06640 128.5
[M+HCOO]- 215.06734 153.5
[M+CH3COO]- 229.08299 175.0
[M+Na-2H]- 191.04381 140.4
[M]+ 170.06859 136.6
[M]- 170.06969 136.6
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