CID 105514236

2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-fluoroacetic acid

Structural Information

Molecular Formula
C12H20FNO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C(=O)O)F
InChI
InChI=1S/C12H20FNO4/c1-12(2,3)18-11(17)14-6-4-5-8(7-14)9(13)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
USDHYMVRZDTLHG-UHFFFAOYSA-N
Compound name
2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.13763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14491 158.8
[M+Na]+ 284.12685 162.8
[M-H]- 260.13035 157.5
[M+NH4]+ 279.17145 173.3
[M+K]+ 300.10079 162.3
[M+H-H2O]+ 244.13489 152.0
[M+HCOO]- 306.13583 171.0
[M+CH3COO]- 320.15148 192.9
[M+Na-2H]- 282.11230 158.3
[M]+ 261.13708 155.3
[M]- 261.13818 155.3
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.