CID 138987908

478059-91-5

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-12-8-10-19(11-9-12)14-7-5-4-6-13(14)15(20)21/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
RQIGYSKCKJHDLA-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 175.5
[M+Na]+ 343.16282 183.8
[M+NH4]+ 338.20742 180.4
[M+K]+ 359.13676 180.4
[M-H]- 319.16632 176.3
[M+Na-2H]- 341.14827 179.3
[M]+ 320.17305 176.4
[M]- 320.17415 176.4
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

No patent data available for this compound.