CID 47552

3-methyl-4-morpholinocarbonylfurazan

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CC1=NON=C1C(=O)N2CCOCC2
InChI
InChI=1S/C8H11N3O3/c1-6-7(10-14-9-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKey
HPUKWSXUHAGWJO-UHFFFAOYSA-N
Compound name
(4-methyl-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 141.4
[M+Na]+ 220.06927 148.5
[M-H]- 196.07277 145.0
[M+NH4]+ 215.11387 155.3
[M+K]+ 236.04321 149.7
[M+H-H2O]+ 180.07731 132.9
[M+HCOO]- 242.07825 158.1
[M+CH3COO]- 256.09390 180.1
[M+Na-2H]- 218.05472 146.1
[M]+ 197.07950 140.8
[M]- 197.08060 140.8
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.