CID 105427353

5-oxa-2,7-diazaspiro[3.4]octan-6-one hydrochloride

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1C2(CN1)CNC(=O)O2
InChI
InChI=1S/C5H8N2O2/c8-4-7-3-5(9-4)1-6-2-5/h6H,1-3H2,(H,7,8)
InChIKey
JOSUSMBJSISVHN-UHFFFAOYSA-N
Compound name
5-oxa-2,7-diazaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

128.05858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 119.9
[M+Na]+ 151.047798 125.9
[M-H]- 127.051304 120.8
[M+NH4]+ 146.092403 133.9
[M+K]+ 167.021738 127.9
[M+H-H2O]+ 111.055840 109.9
[M+HCOO]- 173.056781 136.0
[M+CH3COO]- 187.072431 165.5
[M+Na-2H]- 149.033246 126.9
[M]+ 128.05803142 123.2
[M]- 128.05912858 123.2
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

patents stripe