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]+ 198.12370 143.5
[M+Na]+ 220.10564 149.0
[M-H]- 196.10914 144.5
[M+NH4]+ 215.15024 156.5
[M+K]+ 236.07958 149.1
[M+H-H2O]+ 180.11368 132.3
[M+HCOO]- 242.11462 161.0
[M+CH3COO]- 256.13027 185.3
[M+Na-2H]- 218.09109 145.9
[M]+ 197.11587 147.6
[M]- 197.11697 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.