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

120
Patents

110.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.055286 123.1
[M+Na]+ 133.037228 134.2
[M-H]- 109.040734 128.9
[M+NH4]+ 128.081833 138.8
[M+K]+ 149.011168 133.5
[M+H-H2O]+ 93.045270 115.6
[M+HCOO]- 155.046211 146.6
[M+CH3COO]- 169.061861 137.7
[M+Na-2H]- 131.022676 131.5
[M]+ 110.04746142 126.2
[M]- 110.04855858 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