CID 28674

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

Structural Information

Molecular Formula
C3H5N3O
SMILES
CC1=NON=C1N
InChI
InChI=1S/C3H5N3O/c1-2-3(4)6-7-5-2/h1H3,(H2,4,6)
InChIKey
QIEJLLIYONRHBH-UHFFFAOYSA-N
Compound name
4-methyl-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
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 114.9
[M+Na]+ 122.03248 126.3
[M+NH4]+ 117.07708 122.7
[M+K]+ 138.00642 124.1
[M-H]- 98.035984 116.7
[M+Na-2H]- 120.01793 120.4
[M]+ 99.042711 116.8
[M]- 99.043809 116.8
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