CID 121553182

1-phenyl-2-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C14H19N
SMILES
C1CCC2(CC1)CNC2C3=CC=CC=C3
InChI
InChI=1S/C14H19N/c1-3-7-12(8-4-1)13-14(11-15-13)9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKey
MPADXOGTSKTMMS-UHFFFAOYSA-N
Compound name
3-phenyl-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 143.6
[M+Na]+ 224.140968 147.4
[M-H]- 200.144474 148.4
[M+NH4]+ 219.185573 156.1
[M+K]+ 240.114908 146.1
[M+H-H2O]+ 184.149010 131.3
[M+HCOO]- 246.149951 159.5
[M+CH3COO]- 260.165601 154.1
[M+Na-2H]- 222.126416 149.5
[M]+ 201.15120142 144.1
[M]- 201.15229858 144.1
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.