CID 22661056

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

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CC1C2=NOC(=N2)N
InChI
InChI=1S/C5H7N3O/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8)
InChIKey
DSWVOJBJENHSDX-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

125.058914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 125.9
[M+Na]+ 148.04813 137.1
[M-H]- 124.05164 131.6
[M+NH4]+ 143.09274 140.7
[M+K]+ 164.02207 135.4
[M+H-H2O]+ 108.05617 118.4
[M+HCOO]- 170.05712 149.8
[M+CH3COO]- 184.07276 140.1
[M+Na-2H]- 146.03358 133.2
[M]+ 125.05837 127.9
[M]- 125.05946 127.9
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