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

13
Patents

319.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 176.4
[M+Na]+ 342.16756 181.0
[M-H]- 318.17106 179.8
[M+NH4]+ 337.21216 190.6
[M+K]+ 358.14150 179.5
[M+H-H2O]+ 302.17560 168.9
[M+HCOO]- 364.17654 186.5
[M+CH3COO]- 378.19219 202.9
[M+Na-2H]- 340.15301 181.1
[M]+ 319.17779 173.4
[M]- 319.17889 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