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]+ 198.12370 146.1
[M+Na]+ 220.10564 153.3
[M-H]- 196.10914 145.3
[M+NH4]+ 215.15024 165.8
[M+K]+ 236.07958 150.5
[M+H-H2O]+ 180.11368 139.7
[M+HCOO]- 242.11462 160.7
[M+CH3COO]- 256.13027 177.4
[M+Na-2H]- 218.09109 145.7
[M]+ 197.11587 139.8
[M]- 197.11697 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.