CID 2302260

8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN1CCC2(CC1)C(=O)NC(=O)N2
InChI
InChI=1S/C8H13N3O2/c1-11-4-2-8(3-5-11)6(12)9-7(13)10-8/h2-5H2,1H3,(H2,9,10,12,13)
InChIKey
ZGSNEAYELPMHGT-UHFFFAOYSA-N
Compound name
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

162
Patents

183.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 141.9
[M+Na]+ 206.089988 149.1
[M-H]- 182.093494 140.6
[M+NH4]+ 201.134593 160.3
[M+K]+ 222.063928 145.6
[M+H-H2O]+ 166.098030 135.0
[M+HCOO]- 228.098971 155.6
[M+CH3COO]- 242.114621 173.5
[M+Na-2H]- 204.075436 144.6
[M]+ 183.10022142 133.7
[M]- 183.10131858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe