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

6
Patents

261.13763 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.144906 158.9
[M+Na]+ 284.126848 164.0
[M-H]- 260.130354 157.8
[M+NH4]+ 279.171453 173.8
[M+K]+ 300.100788 163.1
[M+H-H2O]+ 244.134890 152.2
[M+HCOO]- 306.135831 172.0
[M+CH3COO]- 320.151481 193.2
[M+Na-2H]- 282.112296 158.9
[M]+ 261.13708142 156.3
[M]- 261.13817858 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