CID 3086018

Hexanoic acid, 6-(neodecanoylamino)-

Structural Information

Molecular Formula
C16H31NO3
SMILES
CC(C)(C)CCCCCC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C16H31NO3/c1-16(2,3)12-8-4-6-10-14(18)17-13-9-5-7-11-15(19)20/h4-13H2,1-3H3,(H,17,18)(H,19,20)
InChIKey
GXHDTUQYENTLLQ-UHFFFAOYSA-N
Compound name
6-(7,7-dimethyloctanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.23768 174.0
[M+Na]+ 308.21962 179.4
[M+NH4]+ 303.26422 178.1
[M+K]+ 324.19356 175.1
[M-H]- 284.22312 170.8
[M+Na-2H]- 306.20507 173.2
[M]+ 285.22985 173.3
[M]- 285.23095 173.3
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.