CID 121957

Sk&f-105685

Structural Information

Molecular Formula
C20H40N2
SMILES
CCCC1(CCC2(CC1)CCN(C2)CCCN(C)C)CCC
InChI
InChI=1S/C20H40N2/c1-5-8-19(9-6-2)10-12-20(13-11-19)14-17-22(18-20)16-7-15-21(3)4/h5-18H2,1-4H3
InChIKey
AQQJKZQCFJQLOU-UHFFFAOYSA-N
Compound name
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

80
Patents

308.31915 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.32643 181.8
[M+Na]+ 331.30837 183.4
[M-H]- 307.31187 185.1
[M+NH4]+ 326.35297 201.6
[M+K]+ 347.28231 180.7
[M+H-H2O]+ 291.31641 174.1
[M+HCOO]- 353.31735 197.8
[M+CH3COO]- 367.33300 213.3
[M+Na-2H]- 329.29382 180.9
[M]+ 308.31860 179.2
[M]- 308.31970 179.2
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