CID 62390074

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC(NC1)C2=NOC=N2
InChI
InChI=1S/C6H9N3O/c1-2-5(7-3-1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKey
ATFSESSLTKRXKN-UHFFFAOYSA-N
Compound name
3-pyrrolidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 127.6
[M+Na]+ 162.06377 137.9
[M+NH4]+ 157.10837 135.2
[M+K]+ 178.03771 137.1
[M-H]- 138.06727 129.3
[M+Na-2H]- 160.04922 132.9
[M]+ 139.07400 129.2
[M]- 139.07510 129.2
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