CID 165903746

En300-135598

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]+ 287.19655 168.6
[M+Na]+ 309.17849 171.1
[M-H]- 285.18199 169.6
[M+NH4]+ 304.22309 182.5
[M+K]+ 325.15243 171.6
[M+H-H2O]+ 269.18653 161.7
[M+HCOO]- 331.18747 183.7
[M+CH3COO]- 345.20312 203.7
[M+Na-2H]- 307.16394 168.6
[M]+ 286.18872 168.1
[M]- 286.18982 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.