CID 18442718

1,3,7-triazaspiro[4.4]nonane-2,4-dione hydrochloride

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1CNCC12C(=O)NC(=O)N2
InChI
InChI=1S/C6H9N3O2/c10-4-6(1-2-7-3-6)9-5(11)8-4/h7H,1-3H2,(H2,8,9,10,11)
InChIKey
YRYCOOMEQSXVLJ-UHFFFAOYSA-N
Compound name
1,3,7-triazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

155.06947 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 134.1
[M+Na]+ 178.05869 141.5
[M-H]- 154.06219 131.9
[M+NH4]+ 173.10329 154.4
[M+K]+ 194.03263 138.1
[M+H-H2O]+ 138.06673 127.7
[M+HCOO]- 200.06767 149.2
[M+CH3COO]- 214.08332 145.2
[M+Na-2H]- 176.04414 136.5
[M]+ 155.06892 125.1
[M]- 155.07002 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe