CID 56993

3-azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H38N2
SMILES
CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN(C)C
InChI
InChI=1S/C19H38N2/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5/h17H,6-16H2,1-5H3
InChIKey
LZRGRPBCRMPSBY-UHFFFAOYSA-N
Compound name
3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

294.3035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.31078 178.3
[M+Na]+ 317.29272 178.9
[M-H]- 293.29622 181.4
[M+NH4]+ 312.33732 194.9
[M+K]+ 333.26666 177.0
[M+H-H2O]+ 277.30076 170.4
[M+HCOO]- 339.30170 190.8
[M+CH3COO]- 353.31735 210.9
[M+Na-2H]- 315.27817 179.0
[M]+ 294.30295 172.4
[M]- 294.30405 172.4
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