CID 166214

6-(isononanoylamino)hexanoic acid

Structural Information

Molecular Formula
C15H29NO3
SMILES
CC(C)CCCCCC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C15H29NO3/c1-13(2)9-5-3-6-10-14(17)16-12-8-4-7-11-15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
KWAKSEGGFHCMJS-UHFFFAOYSA-N
Compound name
6-(7-methyloctanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

271.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 170.3
[M+Na]+ 294.20397 175.8
[M+NH4]+ 289.24857 174.6
[M+K]+ 310.17791 171.3
[M-H]- 270.20747 167.5
[M+Na-2H]- 292.18942 169.4
[M]+ 271.21420 169.7
[M]- 271.21530 169.7
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

patents stripe