CID 66600720

2,5,7-triazaspiro[3.4]octane-6,8-dione hydrochloride

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1C2(CN1)C(=O)NC(=O)N2
InChI
InChI=1S/C5H7N3O2/c9-3-5(1-6-2-5)8-4(10)7-3/h6H,1-2H2,(H2,7,8,9,10)
InChIKey
LHNBZDSWNHROMZ-UHFFFAOYSA-N
Compound name
2,5,7-triazaspiro[3.4]octane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

141.05383 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 128.6
[M+Na]+ 164.04305 135.3
[M-H]- 140.04655 126.5
[M+NH4]+ 159.08765 141.5
[M+K]+ 180.01699 134.8
[M+H-H2O]+ 124.05109 118.0
[M+HCOO]- 186.05203 142.9
[M+CH3COO]- 200.06768 166.3
[M+Na-2H]- 162.02850 133.1
[M]+ 141.05328 129.7
[M]- 141.05438 129.7
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

patents stripe