CID 146050110

2-[(3z)-8-[(tert-butoxy)carbonyl]-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]acetic acid

Structural Information

Molecular Formula
C14H20FNO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(/C(=C\C(=O)O)/C2)F
InChI
InChI=1S/C14H20FNO4/c1-14(2,3)20-13(19)16-9-4-5-10(16)12(15)8(6-9)7-11(17)18/h7,9-10,12H,4-6H2,1-3H3,(H,17,18)/b8-7-
InChIKey
VYJXRLGFHGFCBD-FPLPWBNLSA-N
Compound name
(2Z)-2-[2-fluoro-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-ylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13763 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14491 166.4
[M+Na]+ 308.12685 172.3
[M-H]- 284.13035 164.8
[M+NH4]+ 303.17145 183.9
[M+K]+ 324.10079 169.9
[M+H-H2O]+ 268.13489 161.1
[M+HCOO]- 330.13583 177.8
[M+CH3COO]- 344.15148 198.0
[M+Na-2H]- 306.11230 165.7
[M]+ 285.13708 164.2
[M]- 285.13818 164.2
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.