CID 65493308

1955492-47-3

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CC(C)CC(CC(=O)O)CNC(=O)C1CCCCN1
InChI
InChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
YIBJJADESILGNG-UHFFFAOYSA-N
Compound name
5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.19434 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20162 167.2
[M+Na]+ 293.18356 171.9
[M+NH4]+ 288.22816 171.5
[M+K]+ 309.15750 169.3
[M-H]- 269.18706 165.1
[M+Na-2H]- 291.16901 166.9
[M]+ 270.19379 166.5
[M]- 270.19489 166.5
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.