CID 58408489

2126176-78-9

Structural Information

Molecular Formula
C7H11N3O
SMILES
CC1=NC(=NO1)C2CCNC2
InChI
InChI=1S/C7H11N3O/c1-5-9-7(10-11-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3
InChIKey
RFNIUBLYJWOZHO-UHFFFAOYSA-N
Compound name
5-methyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

153.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 131.2
[M+Na]+ 176.079428 139.0
[M-H]- 152.082934 133.2
[M+NH4]+ 171.124033 149.5
[M+K]+ 192.053368 138.3
[M+H-H2O]+ 136.087470 123.4
[M+HCOO]- 198.088411 150.3
[M+CH3COO]- 212.104061 144.1
[M+Na-2H]- 174.064876 134.8
[M]+ 153.08966142 128.6
[M]- 153.09075858 128.6
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