CID 58351857

2-(4-(1-(tert-butoxycarbonyl)piperidin-4-yl)phenyl)acetic acid

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

13
Patents

319.17834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 176.1
[M+Na]+ 342.16756 185.6
[M+NH4]+ 337.21216 181.4
[M+K]+ 358.14150 181.5
[M-H]- 318.17106 176.7
[M+Na-2H]- 340.15301 180.0
[M]+ 319.17779 177.3
[M]- 319.17889 177.3
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