CID 56828139

6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
C1CC(C2(C1)C(=O)NC(=O)N2)CN
InChI
InChI=1S/C8H13N3O2/c9-4-5-2-1-3-8(5)6(12)10-7(13)11-8/h5H,1-4,9H2,(H2,10,11,12,13)
InChIKey
JHUGQAVXQZPQSX-UHFFFAOYSA-N
Compound name
9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.0
[M+Na]+ 206.08999 147.1
[M-H]- 182.09349 140.1
[M+NH4]+ 201.13459 161.0
[M+K]+ 222.06393 143.5
[M+H-H2O]+ 166.09803 134.2
[M+HCOO]- 228.09897 157.7
[M+CH3COO]- 242.11462 175.0
[M+Na-2H]- 204.07544 141.3
[M]+ 183.10022 131.8
[M]- 183.10132 131.8
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.