CID 46911906

7-benzyl-2,7-diazaspiro[4.5]decane

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC2(CCNC2)CN(C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-5-14(6-3-1)11-17-10-4-7-15(13-17)8-9-16-12-15/h1-3,5-6,16H,4,7-13H2
InChIKey
OFLZQYXCNCHXGP-UHFFFAOYSA-N
Compound name
7-benzyl-2,7-diazaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 157.0
[M+Na]+ 253.167518 160.5
[M-H]- 229.171024 160.1
[M+NH4]+ 248.212123 174.7
[M+K]+ 269.141458 155.7
[M+H-H2O]+ 213.175560 147.6
[M+HCOO]- 275.176501 171.9
[M+CH3COO]- 289.192151 166.5
[M+Na-2H]- 251.152966 159.8
[M]+ 230.17775142 147.5
[M]- 230.17884858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe