CID 15003010

6-methoxyhexanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
COCCCCCC(=O)O
InChI
InChI=1S/C7H14O3/c1-10-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
WUZBGMQIKXKYMX-UHFFFAOYSA-N
Compound name
6-methoxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

146.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.6
[M+Na]+ 169.08352 140.7
[M+NH4]+ 164.12812 138.3
[M+K]+ 185.05746 136.1
[M-H]- 145.08702 129.6
[M+Na-2H]- 167.06897 134.0
[M]+ 146.09375 131.9
[M]- 146.09485 131.9
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

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