CID 136125366

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

Structural Information

Molecular Formula
C3H5N3O2
SMILES
C(C1=NOC(=O)N1)N
InChI
InChI=1S/C3H5N3O2/c4-1-2-5-3(7)8-6-2/h1,4H2,(H,5,6,7)
InChIKey
KWOSBGKUIVHLSR-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

115.03818 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.045456 117.5
[M+Na]+ 138.027398 127.3
[M-H]- 114.030904 118.0
[M+NH4]+ 133.072003 136.8
[M+K]+ 154.001338 126.7
[M+H-H2O]+ 98.035440 111.1
[M+HCOO]- 160.036381 140.7
[M+CH3COO]- 174.052031 164.6
[M+Na-2H]- 136.012846 125.3
[M]+ 115.03763142 116.4
[M]- 115.03872858 116.4
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