CID 136197513

3-(2-aminoethyl)-2,5-dihydro-1,2,4-oxadiazol-5-one hydrochloride

Structural Information

Molecular Formula
C4H7N3O2
SMILES
C(CN)C1=NOC(=O)N1
InChI
InChI=1S/C4H7N3O2/c5-2-1-3-6-4(8)9-7-3/h1-2,5H2,(H,6,7,8)
InChIKey
GVGBBIDMUFFWQH-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

129.05383 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 122.1
[M+Na]+ 152.043048 131.4
[M-H]- 128.046554 122.4
[M+NH4]+ 147.087653 140.8
[M+K]+ 168.016988 130.6
[M+H-H2O]+ 112.051090 115.4
[M+HCOO]- 174.052031 145.0
[M+CH3COO]- 188.067681 167.6
[M+Na-2H]- 150.028496 129.3
[M]+ 129.05328142 121.3
[M]- 129.05437858 121.3
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