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]+ 321.180876 175.9
[M+Na]+ 343.162818 178.9
[M-H]- 319.166324 178.9
[M+NH4]+ 338.207423 187.4
[M+K]+ 359.136758 176.8
[M+H-H2O]+ 303.170860 167.8
[M+HCOO]- 365.171801 190.8
[M+CH3COO]- 379.187451 206.5
[M+Na-2H]- 341.148266 176.9
[M]+ 320.17305142 172.9
[M]- 320.17414858 172.9
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.