CID 44254145

1013334-96-7

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]+ 304.154336 170.7
[M+Na]+ 326.136278 177.5
[M-H]- 302.139784 176.2
[M+NH4]+ 321.180883 188.3
[M+K]+ 342.110218 176.1
[M+H-H2O]+ 286.144320 164.4
[M+HCOO]- 348.145261 185.2
[M+CH3COO]- 362.160911 200.8
[M+Na-2H]- 324.121726 174.8
[M]+ 303.14651142 170.7
[M]- 303.14760858 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