CID 72943072

1359701-97-5

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C16H19NO4/c1-15(2,3)21-14(19)17-9-16(10-17)8-12(18)11-6-4-5-7-13(11)20-16/h4-7H,8-10H2,1-3H3
InChIKey
XTSAFRNBZZVKLZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 162.7
[M+Na]+ 312.120618 168.8
[M-H]- 288.124124 168.2
[M+NH4]+ 307.165223 172.8
[M+K]+ 328.094558 171.2
[M+H-H2O]+ 272.128660 151.2
[M+HCOO]- 334.129601 176.6
[M+CH3COO]- 348.145251 202.5
[M+Na-2H]- 310.106066 169.1
[M]+ 289.13085142 172.7
[M]- 289.13194858 172.7
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