CID 418672

Nsc103740

Structural Information

Molecular Formula
C20H38N2
SMILES
CC(C)(C)C1CCC2(CC1)CCN(CC2)N3CCCCCC3
InChI
InChI=1S/C20H38N2/c1-19(2,3)18-8-10-20(11-9-18)12-16-22(17-13-20)21-14-6-4-5-7-15-21/h18H,4-17H2,1-3H3
InChIKey
ZSFGLCLBLSTUMN-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-9-tert-butyl-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 179.7
[M+Na]+ 329.29272 177.8
[M-H]- 305.29622 183.2
[M+NH4]+ 324.33732 192.1
[M+K]+ 345.26666 177.1
[M+H-H2O]+ 289.30076 169.4
[M+HCOO]- 351.30170 186.0
[M+CH3COO]- 365.31735 185.4
[M+Na-2H]- 327.27817 178.8
[M]+ 306.30295 164.5
[M]- 306.30405 164.5
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

No patent data available for this compound.