CID 272002

1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN1C(=O)NC(=O)C12CCNCC2
InChI
InChI=1S/C8H13N3O2/c1-11-7(13)10-6(12)8(11)2-4-9-5-3-8/h9H,2-5H2,1H3,(H,10,12,13)
InChIKey
PBAVCCPZRWNJOQ-UHFFFAOYSA-N
Compound name
1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

183.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 141.9
[M+Na]+ 206.08999 149.1
[M-H]- 182.09349 140.6
[M+NH4]+ 201.13459 160.3
[M+K]+ 222.06393 145.6
[M+H-H2O]+ 166.09803 135.0
[M+HCOO]- 228.09897 155.6
[M+CH3COO]- 242.11462 173.5
[M+Na-2H]- 204.07544 144.6
[M]+ 183.10022 133.7
[M]- 183.10132 133.7
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