CID 42614542

2-benzyl-2,7-diazaspiro[4.4]nonane

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CNCC12CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2
InChIKey
ZLFPWTIKFBLPGM-UHFFFAOYSA-N
Compound name
2-benzyl-2,7-diazaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 152.6
[M+Na]+ 239.151858 157.5
[M-H]- 215.155364 156.6
[M+NH4]+ 234.196463 172.9
[M+K]+ 255.125798 153.2
[M+H-H2O]+ 199.159900 144.0
[M+HCOO]- 261.160841 170.2
[M+CH3COO]- 275.176491 163.4
[M+Na-2H]- 237.137306 154.2
[M]+ 216.16209142 145.2
[M]- 216.16318858 145.2
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

patents stripe