CID 16767787

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

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CC1C2=NN=C(O2)N
InChI
InChI=1S/C5H7N3O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
BXHGGEZILMHEAM-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

125.058914 Da
Monoisotopic Mass

-0.7
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

literature stripe

Patent stripe

patents stripe