CID 23190866

6-ethoxyhexanoic acid

Structural Information

Molecular Formula
C8H16O3
SMILES
CCOCCCCCC(=O)O
InChI
InChI=1S/C8H16O3/c1-2-11-7-5-3-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey
RLYWGHFLZRIVDD-UHFFFAOYSA-N
Compound name
6-ethoxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

160.10994 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.6
[M+Na]+ 183.09916 142.6
[M-H]- 159.10266 135.1
[M+NH4]+ 178.14376 156.8
[M+K]+ 199.07310 142.2
[M+H-H2O]+ 143.10720 131.7
[M+HCOO]- 205.10814 158.2
[M+CH3COO]- 219.12379 176.4
[M+Na-2H]- 181.08461 140.8
[M]+ 160.10939 139.7
[M]- 160.11049 139.7
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