CID 5916286

2-octenoic acid, 4-ethyl-, (2e)-

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCC(CC)/C=C/C(=O)O
InChI
InChI=1S/C10H18O2/c1-3-5-6-9(4-2)7-8-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7+
InChIKey
RTSYTZNKRVDRRT-BQYQJAHWSA-N
Compound name
(E)-4-ethyloct-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

60
Patents

170.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.9
[M+Na]+ 193.11990 147.3
[M-H]- 169.12340 140.3
[M+NH4]+ 188.16450 161.7
[M+K]+ 209.09384 145.7
[M+H-H2O]+ 153.12794 137.2
[M+HCOO]- 215.12888 161.8
[M+CH3COO]- 229.14453 179.7
[M+Na-2H]- 191.10535 143.8
[M]+ 170.13013 142.9
[M]- 170.13123 142.9
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

patents stripe