CID 49760902

Tert-butyl 2,3-dihydro-1h-spiro[isoquinoline-4,4'-piperidine]-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3(C1)CCNCC3
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3
InChIKey
PYRPHEQXDLNURT-UHFFFAOYSA-N
Compound name
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

302.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 176.4
[M+Na]+ 325.188648 180.2
[M-H]- 301.192154 177.2
[M+NH4]+ 320.233253 191.0
[M+K]+ 341.162588 176.1
[M+H-H2O]+ 285.196690 167.8
[M+HCOO]- 347.197631 185.7
[M+CH3COO]- 361.213281 199.8
[M+Na-2H]- 323.174096 180.5
[M]+ 302.19888142 169.8
[M]- 302.19997858 169.8
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