CID 6435902

5309-52-4

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC/C=C(\CC)/C(=O)O
InChI
InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
InChIKey
WOWYPHJOHOCYII-VOTSOKGWSA-N
Compound name
(E)-2-ethylhex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

745
Patents

142.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.5
[M+Na]+ 165.08860 138.8
[M-H]- 141.09210 131.3
[M+NH4]+ 160.13320 153.5
[M+K]+ 181.06254 137.8
[M+H-H2O]+ 125.09664 128.2
[M+HCOO]- 187.09758 153.1
[M+CH3COO]- 201.11323 173.7
[M+Na-2H]- 163.07405 135.6
[M]+ 142.09883 132.8
[M]- 142.09993 132.8
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