CID 73977838

1373502-96-5

Structural Information

Molecular Formula
C12H20FNO4
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)F)CC(=O)O
InChI
InChI=1S/C12H20FNO4/c1-12(2,3)18-11(17)14-5-4-8(6-10(15)16)9(13)7-14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
QPBYZDLGSYTGHU-UHFFFAOYSA-N
Compound name
2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

261.13763 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14491 158.9
[M+Na]+ 284.12685 164.0
[M-H]- 260.13035 157.8
[M+NH4]+ 279.17145 173.8
[M+K]+ 300.10079 163.1
[M+H-H2O]+ 244.13489 152.2
[M+HCOO]- 306.13583 172.0
[M+CH3COO]- 320.15148 193.2
[M+Na-2H]- 282.11230 158.9
[M]+ 261.13708 156.3
[M]- 261.13818 156.3
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

patents stripe