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 162.7
[M+Na]+ 312.12062 168.8
[M-H]- 288.12412 168.2
[M+NH4]+ 307.16522 172.8
[M+K]+ 328.09456 171.2
[M+H-H2O]+ 272.12866 151.2
[M+HCOO]- 334.12960 176.6
[M+CH3COO]- 348.14525 202.5
[M+Na-2H]- 310.10607 169.1
[M]+ 289.13085 172.7
[M]- 289.13195 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