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]+ 262.144906 158.8
[M+Na]+ 284.126848 162.8
[M-H]- 260.130354 157.5
[M+NH4]+ 279.171453 173.3
[M+K]+ 300.100788 162.3
[M+H-H2O]+ 244.134890 152.0
[M+HCOO]- 306.135831 171.0
[M+CH3COO]- 320.151481 192.9
[M+Na-2H]- 282.112296 158.3
[M]+ 261.13708142 155.3
[M]- 261.13817858 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.