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

87
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.6
[M+Na]+ 239.15186 157.5
[M-H]- 215.15536 156.6
[M+NH4]+ 234.19646 172.9
[M+K]+ 255.12580 153.2
[M+H-H2O]+ 199.15990 144.0
[M+HCOO]- 261.16084 170.2
[M+CH3COO]- 275.17649 163.4
[M+Na-2H]- 237.13731 154.2
[M]+ 216.16209 145.2
[M]- 216.16319 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