CID 21124484

6-(1-oxononan-2-ylamino)hexanoic acid

Structural Information

Molecular Formula
C15H29NO3
SMILES
CCCCCCCC(C=O)NCCCCCC(=O)O
InChI
InChI=1S/C15H29NO3/c1-2-3-4-5-7-10-14(13-17)16-12-9-6-8-11-15(18)19/h13-14,16H,2-12H2,1H3,(H,18,19)
InChIKey
KBOKXVYGUHEXOX-UHFFFAOYSA-N
Compound name
6-(1-oxononan-2-ylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.21475 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.222026 171.3
[M+Na]+ 294.203968 173.5
[M-H]- 270.207474 168.5
[M+NH4]+ 289.248573 186.4
[M+K]+ 310.177908 171.1
[M+H-H2O]+ 254.212010 164.6
[M+HCOO]- 316.212951 190.7
[M+CH3COO]- 330.228601 202.4
[M+Na-2H]- 292.189416 170.8
[M]+ 271.21420142 174.8
[M]- 271.21529858 174.8
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.