CID 71302051

1-benzyl-1,7-diazaspiro[3.5]nonane

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CNCCC12CCN2CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-13(5-3-1)12-16-11-8-14(16)6-9-15-10-7-14/h1-5,15H,6-12H2
InChIKey
HVEFEAXLXBXQTO-UHFFFAOYSA-N
Compound name
1-benzyl-1,7-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 148.7
[M+Na]+ 239.151858 152.4
[M-H]- 215.155364 151.9
[M+NH4]+ 234.196463 159.2
[M+K]+ 255.125798 151.0
[M+H-H2O]+ 199.159900 135.2
[M+HCOO]- 261.160841 163.2
[M+CH3COO]- 275.176491 158.4
[M+Na-2H]- 237.137306 154.5
[M]+ 216.16209142 149.7
[M]- 216.16318858 149.7
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.