CID 15634713

1-benzyl-1,7-diazaspiro[4.4]nonane

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2(CCNC2)N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2
InChIKey
YIZAKHJUGTXWTG-UHFFFAOYSA-N
Compound name
1-benzyl-1,7-diazaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

216.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.6
[M+Na]+ 239.15186 157.5
[M-H]- 215.15536 156.6
[M+NH4]+ 234.19646 172.9
[M+K]+ 255.12580 153.2
[M+H-H2O]+ 199.15990 144.0
[M+HCOO]- 261.16084 170.2
[M+CH3COO]- 275.17649 163.4
[M+Na-2H]- 237.13731 154.2
[M]+ 216.16209 145.2
[M]- 216.16319 145.2
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