CID 95555

2-acetamidooctanoic acid

Structural Information

Molecular Formula
C10H19NO3
SMILES
CCCCCCC(C(=O)O)NC(=O)C
InChI
InChI=1S/C10H19NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
JJGNMSOJTSABGA-UHFFFAOYSA-N
Compound name
2-acetamidooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

201.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 148.6
[M+Na]+ 224.12571 155.2
[M+NH4]+ 219.17031 153.8
[M+K]+ 240.09965 151.8
[M-H]- 200.12921 146.0
[M+Na-2H]- 222.11116 149.0
[M]+ 201.13594 148.2
[M]- 201.13704 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe