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]+ 170.128776 140.4
[M+Na]+ 192.110718 146.4
[M-H]- 168.114224 138.6
[M+NH4]+ 187.155323 159.2
[M+K]+ 208.084658 143.1
[M+H-H2O]+ 152.118760 133.0
[M+HCOO]- 214.119701 153.7
[M+CH3COO]- 228.135351 150.7
[M+Na-2H]- 190.096166 143.6
[M]+ 169.12095142 130.9
[M]- 169.12204858 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