CID 44182350

1965309-95-8

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CNCCC12CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-11-14(12-16)6-8-15-9-7-14/h1-5,15H,6-12H2
InChIKey
JMPAPQYBLUHNQT-UHFFFAOYSA-N
Compound name
2-benzyl-2,7-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 148.7
[M+Na]+ 239.15186 152.4
[M-H]- 215.15536 151.9
[M+NH4]+ 234.19646 159.2
[M+K]+ 255.12580 151.0
[M+H-H2O]+ 199.15990 135.2
[M+HCOO]- 261.16084 163.2
[M+CH3COO]- 275.17649 158.4
[M+Na-2H]- 237.13731 154.5
[M]+ 216.16209 149.7
[M]- 216.16319 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

patents stripe