CID 10538338

8-benzyl-1,3,8-triaza-spiro[4.5]decan-4-one

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CN(CCC12C(=O)NCN2)CC3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c18-13-14(16-11-15-13)6-8-17(9-7-14)10-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,18)
InChIKey
BCWSNKPUZNJPGJ-UHFFFAOYSA-N
Compound name
8-benzyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

245.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 159.6
[M+Na]+ 268.14204 164.4
[M-H]- 244.14554 160.6
[M+NH4]+ 263.18664 174.8
[M+K]+ 284.11598 158.7
[M+H-H2O]+ 228.15008 150.1
[M+HCOO]- 290.15102 172.4
[M+CH3COO]- 304.16667 168.4
[M+Na-2H]- 266.12749 161.9
[M]+ 245.15227 149.8
[M]- 245.15337 149.8
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