CID 71873198

3-(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)N1C(=O)C2(CCNC2)NC1=O
InChI
InChI=1S/C9H15N3O2/c1-6(2)12-7(13)9(11-8(12)14)3-4-10-5-9/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKey
JBVRTLYCOCUHJM-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 146.1
[M+Na]+ 220.105638 153.3
[M-H]- 196.109144 145.3
[M+NH4]+ 215.150243 165.8
[M+K]+ 236.079578 150.5
[M+H-H2O]+ 180.113680 139.7
[M+HCOO]- 242.114621 160.7
[M+CH3COO]- 256.130271 177.4
[M+Na-2H]- 218.091086 145.7
[M]+ 197.11587142 139.8
[M]- 197.11696858 139.8
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.