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

45
Patents

128.05858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 119.9
[M+Na]+ 151.04780 125.9
[M-H]- 127.05130 120.8
[M+NH4]+ 146.09240 133.9
[M+K]+ 167.02174 127.9
[M+H-H2O]+ 111.05584 109.9
[M+HCOO]- 173.05678 136.0
[M+CH3COO]- 187.07243 165.5
[M+Na-2H]- 149.03325 126.9
[M]+ 128.05803 123.2
[M]- 128.05913 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