CID 131267191

8a-(hydroxymethyl)-hexahydro-1h-imidazolidino[4,3-c]morpholin-3-one

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1COCC2(N1C(=O)NC2)CO
InChI
InChI=1S/C7H12N2O3/c10-4-7-3-8-6(11)9(7)1-2-12-5-7/h10H,1-5H2,(H,8,11)
InChIKey
BWXBJOOIPDJUCL-UHFFFAOYSA-N
Compound name
8a-(hydroxymethyl)-2,5,6,8-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 135.4
[M+Na]+ 195.074018 142.2
[M-H]- 171.077524 134.5
[M+NH4]+ 190.118623 154.9
[M+K]+ 211.047958 141.0
[M+H-H2O]+ 155.082060 129.6
[M+HCOO]- 217.083001 149.7
[M+CH3COO]- 231.098651 170.5
[M+Na-2H]- 193.059466 141.5
[M]+ 172.08425142 130.7
[M]- 172.08534858 130.7
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.