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]+ 216.174676 149.5
[M+Na]+ 238.156618 151.8
[M-H]- 214.160124 155.2
[M+NH4]+ 233.201223 160.6
[M+K]+ 254.130558 152.5
[M+H-H2O]+ 198.164660 138.9
[M+HCOO]- 260.165601 164.5
[M+CH3COO]- 274.181251 159.0
[M+Na-2H]- 236.142066 154.1
[M]+ 215.16685142 147.2
[M]- 215.16794858 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.