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

8
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.8
[M+Na]+ 312.12062 172.6
[M+NH4]+ 307.16522 170.0
[M+K]+ 328.09456 168.2
[M-H]- 288.12412 165.2
[M+Na-2H]- 310.10607 168.1
[M]+ 289.13085 165.5
[M]- 289.13195 165.5
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