CID 75355580

2408971-11-7

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C1CC2(C1)C(=O)N(C(=O)N2)CCCN
InChI
InChI=1S/C9H15N3O2/c10-5-2-6-12-7(13)9(3-1-4-9)11-8(12)14/h1-6,10H2,(H,11,14)
InChIKey
KAJGNGVLCMJHJB-UHFFFAOYSA-N
Compound name
7-(3-aminopropyl)-5,7-diazaspiro[3.4]octane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 143.5
[M+Na]+ 220.105638 149.0
[M-H]- 196.109144 144.5
[M+NH4]+ 215.150243 156.5
[M+K]+ 236.079578 149.1
[M+H-H2O]+ 180.113680 132.3
[M+HCOO]- 242.114621 161.0
[M+CH3COO]- 256.130271 185.3
[M+Na-2H]- 218.091086 145.9
[M]+ 197.11587142 147.6
[M]- 197.11696858 147.6
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.