CID 71865495

3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC(C)(C1=NOC(=N1)C(=O)N)N
InChI
InChI=1S/C6H10N4O2/c1-6(2,8)5-9-4(3(7)11)12-10-5/h8H2,1-2H3,(H2,7,11)
InChIKey
YYMPVUCUGGRPRH-UHFFFAOYSA-N
Compound name
3-(2-aminopropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.6
[M+Na]+ 193.069588 143.7
[M-H]- 169.073094 137.0
[M+NH4]+ 188.114193 152.7
[M+K]+ 209.043528 143.8
[M+H-H2O]+ 153.077630 128.7
[M+HCOO]- 215.078571 157.1
[M+CH3COO]- 229.094221 181.9
[M+Na-2H]- 191.055036 141.3
[M]+ 170.07982142 134.5
[M]- 170.08091858 134.5
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

No patent data available for this compound.