CID 89070498

4-methyl-1,4,8-triazaspiro[4.5]decan-2-one dihydrochloride

Structural Information

Molecular Formula
C8H15N3O
SMILES
CN1CC(=O)NC12CCNCC2
InChI
InChI=1S/C8H15N3O/c1-11-6-7(12)10-8(11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,12)
InChIKey
CZRLOVRZHYIJMS-UHFFFAOYSA-N
Compound name
4-methyl-1,4,8-triazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.1215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 140.4
[M+Na]+ 192.11072 146.4
[M-H]- 168.11422 138.6
[M+NH4]+ 187.15532 159.2
[M+K]+ 208.08466 143.1
[M+H-H2O]+ 152.11876 133.0
[M+HCOO]- 214.11970 153.7
[M+CH3COO]- 228.13535 150.7
[M+Na-2H]- 190.09617 143.6
[M]+ 169.12095 130.9
[M]- 169.12205 130.9
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