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]+ 156.07675 131.4
[M+Na]+ 178.05869 139.0
[M-H]- 154.06219 130.8
[M+NH4]+ 173.10329 144.8
[M+K]+ 194.03263 139.1
[M+H-H2O]+ 138.06673 120.9
[M+HCOO]- 200.06767 146.9
[M+CH3COO]- 214.08332 172.7
[M+Na-2H]- 176.04414 135.3
[M]+ 155.06892 135.0
[M]- 155.07002 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