CID 11595231

644981-80-6

Structural Information

Molecular Formula
C18H24FNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H24FNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,12-15(21)22)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)
InChIKey
HVLHOGZMJHSRMM-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

337.16895 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17623 179.2
[M+Na]+ 360.15817 183.8
[M-H]- 336.16167 181.1
[M+NH4]+ 355.20277 192.5
[M+K]+ 376.13211 181.4
[M+H-H2O]+ 320.16621 171.3
[M+HCOO]- 382.16715 191.7
[M+CH3COO]- 396.18280 206.5
[M+Na-2H]- 358.14362 180.0
[M]+ 337.16840 176.6
[M]- 337.16950 176.6
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