CID 5282718

Cis-5-octenoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC/C=C\CCCC(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-
InChIKey
RRGOKSYVAZDNKR-ARJAWSKDSA-N
Compound name
(Z)-oct-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

800
Patents

142.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.6
[M+Na]+ 165.08860 142.0
[M+NH4]+ 160.13320 139.5
[M+K]+ 181.06254 136.5
[M-H]- 141.09210 130.9
[M+Na-2H]- 163.07405 135.1
[M]+ 142.09883 133.1
[M]- 142.09993 133.1
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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