CID 49761215

1-[(tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H18FNO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKey
BUOPUFGUVSXFRG-UHFFFAOYSA-N
Compound name
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

247.12198 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12926 154.1
[M+Na]+ 270.11120 159.6
[M-H]- 246.11470 153.1
[M+NH4]+ 265.15580 171.3
[M+K]+ 286.08514 159.3
[M+H-H2O]+ 230.11924 148.5
[M+HCOO]- 292.12018 167.6
[M+CH3COO]- 306.13583 188.5
[M+Na-2H]- 268.09665 156.7
[M]+ 247.12143 151.2
[M]- 247.12253 151.2
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

patents stripe