CID 24950025

1046079-46-2

Structural Information

Molecular Formula
C4H7N3O2
SMILES
C(CN)C1=NNC(=O)O1
InChI
InChI=1S/C4H7N3O2/c5-2-1-3-6-7-4(8)9-3/h1-2,5H2,(H,7,8)
InChIKey
WNSKGEZANNTPQJ-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

129.05383 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 122.1
[M+Na]+ 152.04305 131.4
[M-H]- 128.04655 122.4
[M+NH4]+ 147.08765 140.8
[M+K]+ 168.01699 130.6
[M+H-H2O]+ 112.05109 115.4
[M+HCOO]- 174.05203 145.0
[M+CH3COO]- 188.06768 167.6
[M+Na-2H]- 150.02850 129.3
[M]+ 129.05328 121.3
[M]- 129.05438 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

No patent data available for this compound.