CID 54595736

1-benzyl-1,4-diazaspiro[5.5]undecane

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CCC2(CC1)CNCCN2CC3=CC=CC=C3
InChI
InChI=1S/C16H24N2/c1-3-7-15(8-4-1)13-18-12-11-17-14-16(18)9-5-2-6-10-16/h1,3-4,7-8,17H,2,5-6,9-14H2
InChIKey
JJZFRZJBNRNVCG-UHFFFAOYSA-N
Compound name
1-benzyl-1,4-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 161.7
[M+Na]+ 267.18317 163.8
[M-H]- 243.18667 164.0
[M+NH4]+ 262.22777 176.7
[M+K]+ 283.15711 158.6
[M+H-H2O]+ 227.19121 151.5
[M+HCOO]- 289.19215 173.8
[M+CH3COO]- 303.20780 169.8
[M+Na-2H]- 265.16862 165.8
[M]+ 244.19340 150.2
[M]- 244.19450 150.2
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

No patent data available for this compound.