CID 6451182

1085-84-3

Structural Information

Molecular Formula
C17H25N
SMILES
C1CCC2(CC1)CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H25N/c1-3-7-16(8-4-1)15-18-13-11-17(12-14-18)9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-15H2
InChIKey
YWEFLMGCOPLAPQ-UHFFFAOYSA-N
Compound name
3-benzyl-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 161.3
[M+Na]+ 266.187918 163.3
[M-H]- 242.191424 166.4
[M+NH4]+ 261.232523 178.5
[M+K]+ 282.161858 159.1
[M+H-H2O]+ 226.195960 151.6
[M+HCOO]- 288.196901 176.0
[M+CH3COO]- 302.212551 170.5
[M+Na-2H]- 264.173366 165.2
[M]+ 243.19815142 151.4
[M]- 243.19924858 151.4
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