CID 19934516

5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC(NC1)C2=NC=NO2
InChI
InChI=1S/C6H9N3O/c1-2-5(7-3-1)6-8-4-9-10-6/h4-5,7H,1-3H2
InChIKey
ANLVMPLXUXEQBJ-UHFFFAOYSA-N
Compound name
5-pyrrolidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.3
[M+Na]+ 162.06377 133.6
[M-H]- 138.06727 128.0
[M+NH4]+ 157.10837 144.8
[M+K]+ 178.03771 133.3
[M+H-H2O]+ 122.07181 118.3
[M+HCOO]- 184.07275 145.7
[M+CH3COO]- 198.08840 139.2
[M+Na-2H]- 160.04922 131.2
[M]+ 139.07400 122.9
[M]- 139.07510 122.9
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