CID 28063957

2-(chloromethyl)-5-cyclopropyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1CC1C2=NN=C(O2)CCl
InChI
InChI=1S/C6H7ClN2O/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
InChIKey
GVBNJABCKFDKKD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-cyclopropyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

158.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 130.4
[M+Na]+ 181.01391 145.0
[M+NH4]+ 176.05851 139.6
[M+K]+ 196.98785 142.0
[M-H]- 157.01741 140.1
[M+Na-2H]- 178.99936 139.5
[M]+ 158.02414 136.5
[M]- 158.02524 136.5
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