CID 125511854

4-amino-2,8-dioxa-3-azaspiro[4.5]dec-3-en-1-one

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1COCCC12C(=NOC2=O)N
InChI
InChI=1S/C7H10N2O3/c8-5-7(6(10)12-9-5)1-3-11-4-2-7/h1-4H2,(H2,8,9)
InChIKey
VPDYPMDDRKYBEW-UHFFFAOYSA-N
Compound name
4-amino-2,8-dioxa-3-azaspiro[4.5]dec-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 132.0
[M+Na]+ 193.05836 139.5
[M-H]- 169.06186 137.2
[M+NH4]+ 188.10296 151.8
[M+K]+ 209.03230 140.5
[M+H-H2O]+ 153.06640 126.2
[M+HCOO]- 215.06734 151.7
[M+CH3COO]- 229.08299 175.7
[M+Na-2H]- 191.04381 139.4
[M]+ 170.06859 128.8
[M]- 170.06969 128.8
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.