CID 19776878

2-cyclopropyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1CC1C2=NN=CO2
InChI
InChI=1S/C5H6N2O/c1-2-4(1)5-7-6-3-8-5/h3-4H,1-2H2
InChIKey
IYJQYUSJVRDSGY-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

110.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 123.1
[M+Na]+ 133.03723 134.2
[M-H]- 109.04073 128.9
[M+NH4]+ 128.08183 138.8
[M+K]+ 149.01117 133.5
[M+H-H2O]+ 93.045270 115.6
[M+HCOO]- 155.04621 146.6
[M+CH3COO]- 169.06186 137.7
[M+Na-2H]- 131.02268 131.5
[M]+ 110.04746 126.2
[M]- 110.04856 126.2
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