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
3
Annotation Hits

0
References

38
Patents

271.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.222026 172.3
[M+Na]+ 294.203968 174.3
[M-H]- 270.207474 169.6
[M+NH4]+ 289.248573 187.4
[M+K]+ 310.177908 172.5
[M+H-H2O]+ 254.212010 165.7
[M+HCOO]- 316.212951 190.7
[M+CH3COO]- 330.228601 202.5
[M+Na-2H]- 292.189416 170.4
[M]+ 271.21420142 175.1
[M]- 271.21529858 175.1
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

patents stripe