CID 58351857

1000991-31-0

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)19-10-8-15(9-11-19)14-6-4-13(5-7-14)12-16(20)21/h4-7,15H,8-12H2,1-3H3,(H,20,21)
InChIKey
HNYYDBIWYLLTRD-UHFFFAOYSA-N
Compound name
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

319.17834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 176.5
[M+Na]+ 342.167558 180.0
[M-H]- 318.171064 179.5
[M+NH4]+ 337.212163 188.5
[M+K]+ 358.141498 177.7
[M+H-H2O]+ 302.175600 168.7
[M+HCOO]- 364.176541 190.1
[M+CH3COO]- 378.192191 204.3
[M+Na-2H]- 340.153006 176.5
[M]+ 319.17779142 174.6
[M]- 319.17888858 174.6
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