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]+ 173.09208 135.4
[M+Na]+ 195.07402 142.2
[M-H]- 171.07752 134.5
[M+NH4]+ 190.11862 154.9
[M+K]+ 211.04796 141.0
[M+H-H2O]+ 155.08206 129.6
[M+HCOO]- 217.08300 149.7
[M+CH3COO]- 231.09865 170.5
[M+Na-2H]- 193.05947 141.5
[M]+ 172.08425 130.7
[M]- 172.08535 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.