CID 165903746

3-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}(methyl)amino)propanoic acid

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(C)CCC(=O)O
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)16-9-5-11(6-10-16)15(4)8-7-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKey
LQNNZFSJLHHJLK-UHFFFAOYSA-N
Compound name
3-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.18927 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.196546 168.6
[M+Na]+ 309.178488 171.1
[M-H]- 285.181994 169.6
[M+NH4]+ 304.223093 182.5
[M+K]+ 325.152428 171.6
[M+H-H2O]+ 269.186530 161.7
[M+HCOO]- 331.187471 183.7
[M+CH3COO]- 345.203121 203.7
[M+Na-2H]- 307.163936 168.6
[M]+ 286.18872142 168.1
[M]- 286.18981858 168.1
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.