CID 51072255

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

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CC1C2=NC(=NO2)N
InChI
InChI=1S/C5H7N3O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
OHSZRALIDGBNES-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

125.058914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 125.9
[M+Na]+ 148.048132 137.1
[M-H]- 124.051638 131.6
[M+NH4]+ 143.092737 140.7
[M+K]+ 164.022072 135.4
[M+H-H2O]+ 108.056174 118.4
[M+HCOO]- 170.057115 149.8
[M+CH3COO]- 184.072765 140.1
[M+Na-2H]- 146.033580 133.2
[M]+ 125.05836542 127.9
[M]- 125.05946258 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