CID 137964019

Tert-butyl 5-fluoro-5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H17FINO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2(CI)F
InChI
InChI=1S/C12H17FINO4/c1-10(2,3)19-9(17)15-6-11(7-15)4-8(16)18-12(11,13)5-14/h4-7H2,1-3H3
InChIKey
PFANRAQQNPFEDG-UHFFFAOYSA-N
Compound name
tert-butyl 5-fluoro-5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.01862 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.02590 164.4
[M+Na]+ 408.00784 164.1
[M-H]- 384.01134 161.6
[M+NH4]+ 403.05244 173.3
[M+K]+ 423.98178 172.4
[M+H-H2O]+ 368.01588 152.7
[M+HCOO]- 430.01682 174.6
[M+CH3COO]- 444.03247 205.4
[M+Na-2H]- 405.99329 156.8
[M]+ 385.01807 171.1
[M]- 385.01917 171.1
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.