CID 70663143

Tert-butyl 5'-acetyl-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(=O)C1=CC2=C(C=C1)C3(CN(C3)C(=O)OC(C)(C)C)OC2
InChI
InChI=1S/C17H21NO4/c1-11(19)12-5-6-14-13(7-12)8-21-17(14)9-18(10-17)15(20)22-16(2,3)4/h5-7H,8-10H2,1-4H3
InChIKey
GQZFZXWGEAPBCX-UHFFFAOYSA-N
Compound name
tert-butyl 6-acetylspiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

303.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 169.0
[M+Na]+ 326.13628 174.8
[M-H]- 302.13978 174.8
[M+NH4]+ 321.18088 180.2
[M+K]+ 342.11022 177.1
[M+H-H2O]+ 286.14432 158.9
[M+HCOO]- 348.14526 183.6
[M+CH3COO]- 362.16091 205.6
[M+Na-2H]- 324.12173 172.1
[M]+ 303.14651 180.7
[M]- 303.14761 180.7
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