CID 137838071

1-phenyl-2-azaspiro[3.6]decane

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCCC2(CC1)CNC2C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-2-7-11-15(10-6-1)12-16-14(15)13-8-4-3-5-9-13/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKey
YNDSWWXTBFXWGJ-UHFFFAOYSA-N
Compound name
3-phenyl-2-azaspiro[3.6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 149.5
[M+Na]+ 238.15662 151.8
[M-H]- 214.16012 155.2
[M+NH4]+ 233.20122 160.6
[M+K]+ 254.13056 152.5
[M+H-H2O]+ 198.16466 138.9
[M+HCOO]- 260.16560 164.5
[M+CH3COO]- 274.18125 159.0
[M+Na-2H]- 236.14207 154.1
[M]+ 215.16685 147.2
[M]- 215.16795 147.2
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

No patent data available for this compound.