CID 328840

Nsc309390

Structural Information

Molecular Formula
C8H10N4O4
SMILES
CN1C(=O)C2(C(=O)N(C(=O)N2C)C)NC1=O
InChI
InChI=1S/C8H10N4O4/c1-10-4(13)8(9-6(10)15)5(14)11(2)7(16)12(8)3/h1-3H3,(H,9,15)
InChIKey
WMYFFLJPRCLOBL-UHFFFAOYSA-N
Compound name
1,3,8-trimethyl-1,3,6,8-tetrazaspiro[4.4]nonane-2,4,7,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0702 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07748 145.7
[M+Na]+ 249.05942 157.8
[M-H]- 225.06292 146.5
[M+NH4]+ 244.10402 164.4
[M+K]+ 265.03336 155.2
[M+H-H2O]+ 209.06746 140.2
[M+HCOO]- 271.06840 162.4
[M+CH3COO]- 285.08405 186.9
[M+Na-2H]- 247.04487 145.2
[M]+ 226.06965 145.2
[M]- 226.07075 145.2
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

No patent data available for this compound.