CID 3085692

Isononyl 6-aminohexanoate

Structural Information

Molecular Formula
C15H31NO2
SMILES
CC(C)CCCCCCOC(=O)CCCCCN
InChI
InChI=1S/C15H31NO2/c1-14(2)10-6-3-4-9-13-18-15(17)11-7-5-8-12-16/h14H,3-13,16H2,1-2H3
InChIKey
YTBVJJCLLLCHCU-UHFFFAOYSA-N
Compound name
7-methyloctyl 6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 167.9
[M+Na]+ 280.22469 174.5
[M+NH4]+ 275.26929 173.5
[M+K]+ 296.19863 168.6
[M-H]- 256.22819 166.5
[M+Na-2H]- 278.21014 168.1
[M]+ 257.23492 168.0
[M]- 257.23602 168.0
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.