CID 120989

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

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C1CNCCC12C(=O)NC(=O)N2
InChI
InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)1-3-8-4-2-7/h8H,1-4H2,(H2,9,10,11,12)
InChIKey
HRSWSISJJJDBOQ-UHFFFAOYSA-N
Compound name
1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

420
Patents

169.08513 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 138.7
[M+Na]+ 192.07435 144.9
[M-H]- 168.07785 135.8
[M+NH4]+ 187.11895 156.6
[M+K]+ 208.04829 140.9
[M+H-H2O]+ 152.08239 131.8
[M+HCOO]- 214.08333 151.2
[M+CH3COO]- 228.09898 148.7
[M+Na-2H]- 190.05980 142.1
[M]+ 169.08458 127.9
[M]- 169.08568 127.9
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