CID 44254145

Tert-butyl 4-oxo-3,4-dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-1'-carboxylate

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H21NO4/c1-16(2,3)22-15(20)18-9-8-17(11-18)10-13(19)12-6-4-5-7-14(12)21-17/h4-7H,8-11H2,1-3H3
InChIKey
VXPLDEWVQHLNAA-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

303.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 170.7
[M+Na]+ 326.13628 177.5
[M-H]- 302.13978 176.2
[M+NH4]+ 321.18088 188.3
[M+K]+ 342.11022 176.1
[M+H-H2O]+ 286.14432 164.4
[M+HCOO]- 348.14526 185.2
[M+CH3COO]- 362.16091 200.8
[M+Na-2H]- 324.12173 174.8
[M]+ 303.14651 170.7
[M]- 303.14761 170.7
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