CID 177801796

Tert-butyl 3-(5-fluoro-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C(=O)C3=C(C2=O)C=C(C=C3)F
InChI
InChI=1S/C16H17FN2O4/c1-16(2,3)23-15(22)18-7-10(8-18)19-13(20)11-5-4-9(17)6-12(11)14(19)21/h4-6,10H,7-8H2,1-3H3
InChIKey
PFJYYSPNSBJYGN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-fluoro-1,3-dioxoisoindol-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 172.1
[M+Na]+ 343.10647 179.6
[M-H]- 319.10997 176.2
[M+NH4]+ 338.15107 180.6
[M+K]+ 359.08041 179.8
[M+H-H2O]+ 303.11451 159.5
[M+HCOO]- 365.11545 186.6
[M+CH3COO]- 379.13110 210.0
[M+Na-2H]- 341.09192 171.5
[M]+ 320.11670 182.2
[M]- 320.11780 182.2
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

No patent data available for this compound.