CID 46835577

1206969-92-7

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)21-11-9-19(10-12-21)14-20(15-19)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
YTGCOTYSXLIHNV-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 178.3
[M+Na]+ 339.204318 181.1
[M-H]- 315.207824 182.7
[M+NH4]+ 334.248923 185.7
[M+K]+ 355.178258 181.2
[M+H-H2O]+ 299.212360 164.3
[M+HCOO]- 361.213301 190.3
[M+CH3COO]- 375.228951 207.7
[M+Na-2H]- 337.189766 180.8
[M]+ 316.21455142 183.7
[M]- 316.21564858 183.7
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

patents stripe