CID 131155925

7-methyl-2,5,7-triazaspiro[3.4]octane-6,8-dione hydrochloride

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C(=O)C2(CNC2)NC1=O
InChI
InChI=1S/C6H9N3O2/c1-9-4(10)6(2-7-3-6)8-5(9)11/h7H,2-3H2,1H3,(H,8,11)
InChIKey
LQTXGSQURPKHHM-UHFFFAOYSA-N
Compound name
7-methyl-2,5,7-triazaspiro[3.4]octane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.06947 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 131.4
[M+Na]+ 178.058688 139.0
[M-H]- 154.062194 130.8
[M+NH4]+ 173.103293 144.8
[M+K]+ 194.032628 139.1
[M+H-H2O]+ 138.066730 120.9
[M+HCOO]- 200.067671 146.9
[M+CH3COO]- 214.083321 172.7
[M+Na-2H]- 176.044136 135.3
[M]+ 155.06892142 135.0
[M]- 155.07001858 135.0
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

patents stripe