CID 68285036

1024604-94-1

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C3=CC=CC=C3O2)O
InChI
InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7,14,20H,8-12H2,1-3H3
InChIKey
JQECWLCCCODXAC-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

319.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 176.4
[M+Na]+ 342.167558 181.0
[M-H]- 318.171064 179.8
[M+NH4]+ 337.212163 190.6
[M+K]+ 358.141498 179.5
[M+H-H2O]+ 302.175600 168.9
[M+HCOO]- 364.176541 186.5
[M+CH3COO]- 378.192191 202.9
[M+Na-2H]- 340.153006 181.1
[M]+ 319.17779142 173.4
[M]- 319.17888858 173.4
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