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]+ 182.09241 137.7
[M+Na]+ 204.07435 145.5
[M-H]- 180.07785 141.2
[M+NH4]+ 199.11895 155.5
[M+K]+ 220.04829 145.8
[M+H-H2O]+ 164.08239 129.7
[M+HCOO]- 226.08333 157.4
[M+CH3COO]- 240.09898 177.8
[M+Na-2H]- 202.05980 140.1
[M]+ 181.08458 137.3
[M]- 181.08568 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.