CID 55286898

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CNCC1C2=NOC=N2
InChI
InChI=1S/C6H9N3O/c1-2-7-3-5(1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKey
DTAFNVJRXJKUTM-UHFFFAOYSA-N
Compound name
3-pyrrolidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

139.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.3
[M+Na]+ 162.063768 133.6
[M-H]- 138.067274 128.0
[M+NH4]+ 157.108373 144.8
[M+K]+ 178.037708 133.3
[M+H-H2O]+ 122.071810 118.3
[M+HCOO]- 184.072751 145.7
[M+CH3COO]- 198.088401 139.2
[M+Na-2H]- 160.049216 131.2
[M]+ 139.07400142 122.9
[M]- 139.07509858 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