CID 71700307

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

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CN1C(=O)C2(CCNC2)NC1=O
InChI
InChI=1S/C7H11N3O2/c1-10-5(11)7(9-6(10)12)2-3-8-4-7/h8H,2-4H2,1H3,(H,9,12)
InChIKey
JBQBTYNSPUCGMY-UHFFFAOYSA-N
Compound name
3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.08513 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 137.2
[M+Na]+ 192.07435 145.5
[M-H]- 168.07785 136.5
[M+NH4]+ 187.11895 158.0
[M+K]+ 208.04829 142.6
[M+H-H2O]+ 152.08239 130.9
[M+HCOO]- 214.08333 153.4
[M+CH3COO]- 228.09898 170.5
[M+Na-2H]- 190.05980 138.9
[M]+ 169.08458 130.8
[M]- 169.08568 130.8
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

patents stripe