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

38
Patents

271.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 172.3
[M+Na]+ 294.20397 174.3
[M-H]- 270.20747 169.6
[M+NH4]+ 289.24857 187.4
[M+K]+ 310.17791 172.5
[M+H-H2O]+ 254.21201 165.7
[M+HCOO]- 316.21295 190.7
[M+CH3COO]- 330.22860 202.5
[M+Na-2H]- 292.18942 170.4
[M]+ 271.21420 175.1
[M]- 271.21530 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