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

0
Patents

316.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 178.3
[M+Na]+ 339.20432 181.1
[M-H]- 315.20782 182.7
[M+NH4]+ 334.24892 185.7
[M+K]+ 355.17826 181.2
[M+H-H2O]+ 299.21236 164.3
[M+HCOO]- 361.21330 190.3
[M+CH3COO]- 375.22895 207.7
[M+Na-2H]- 337.18977 180.8
[M]+ 316.21455 183.7
[M]- 316.21565 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

No patent data available for this compound.