CID 47553

Brn 0515475

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1=NON=C1C(=O)N2CCCC2
InChI
InChI=1S/C8H11N3O2/c1-6-7(10-13-9-6)8(12)11-4-2-3-5-11/h2-5H2,1H3
InChIKey
DJQVLQHTEURIGT-UHFFFAOYSA-N
Compound name
(4-methyl-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.7
[M+Na]+ 204.074348 145.5
[M-H]- 180.077854 141.2
[M+NH4]+ 199.118953 155.5
[M+K]+ 220.048288 145.8
[M+H-H2O]+ 164.082390 129.7
[M+HCOO]- 226.083331 157.4
[M+CH3COO]- 240.098981 177.8
[M+Na-2H]- 202.059796 140.1
[M]+ 181.08458142 137.3
[M]- 181.08567858 137.3
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

No patent data available for this compound.