CID 5282720

(z)-6-octenoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C/C=C\CCCCC(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2-
InChIKey
OTJVLQGVNKNLCB-IHWYPQMZSA-N
Compound name
(Z)-oct-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.3
[M+Na]+ 165.08860 138.8
[M-H]- 141.09210 131.0
[M+NH4]+ 160.13320 153.3
[M+K]+ 181.06254 137.3
[M+H-H2O]+ 125.09664 127.9
[M+HCOO]- 187.09758 153.9
[M+CH3COO]- 201.11323 172.8
[M+Na-2H]- 163.07405 136.6
[M]+ 142.09883 133.2
[M]- 142.09993 133.2
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