CID 19872

2-ethyloctanedioic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CCC(CCCCCC(=O)O)C(=O)O
InChI
InChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKey
WUDDSDIHJHPJRP-UHFFFAOYSA-N
Compound name
2-ethyloctanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1176
Patents

202.12051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 148.2
[M+Na]+ 225.109728 152.7
[M-H]- 201.113234 145.0
[M+NH4]+ 220.154333 165.6
[M+K]+ 241.083668 151.7
[M+H-H2O]+ 185.117770 143.1
[M+HCOO]- 247.118711 166.0
[M+CH3COO]- 261.134361 182.8
[M+Na-2H]- 223.095176 148.3
[M]+ 202.11996142 149.6
[M]- 202.12105858 149.6
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