CID 567118

3-methyl-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C3H5N3O
SMILES
CC1=NOC(=N1)N
InChI
InChI=1S/C3H5N3O/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)
InChIKey
LGNNZKURGCOEJY-UHFFFAOYSA-N
Compound name
3-methyl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

99.04326 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 114.6
[M+Na]+ 122.03248 124.6
[M-H]- 98.035984 116.4
[M+NH4]+ 117.07708 135.4
[M+K]+ 138.00642 125.2
[M+H-H2O]+ 82.040520 108.1
[M+HCOO]- 144.04146 138.9
[M+CH3COO]- 158.05711 165.8
[M+Na-2H]- 120.01793 122.9
[M]+ 99.042711 114.6
[M]- 99.043809 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe