CID 25212930

9-benzyl-1,9-diazaspiro[5.5]undecane

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CCNC2(C1)CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-18-12-9-16(10-13-18)8-4-5-11-17-16/h1-3,6-7,17H,4-5,8-14H2
InChIKey
KPTIPFMUKHVJGL-UHFFFAOYSA-N
Compound name
9-benzyl-1,9-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 161.7
[M+Na]+ 267.183168 163.8
[M-H]- 243.186674 164.0
[M+NH4]+ 262.227773 176.7
[M+K]+ 283.157108 158.6
[M+H-H2O]+ 227.191210 151.5
[M+HCOO]- 289.192151 173.8
[M+CH3COO]- 303.207801 169.8
[M+Na-2H]- 265.168616 165.8
[M]+ 244.19340142 150.2
[M]- 244.19449858 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.