CID 135455323

Hexanoic acid, 2-ethenylidene-

Structural Information

Molecular Formula
C8H13O2
SMILES
CCCC[C+](C=C)C(=O)O
InChI
InChI=1S/C8H12O2/c1-3-5-6-7(4-2)8(9)10/h4H,2-3,5-6H2,1H3/p+1
InChIKey
ONFXFSACNROWII-UHFFFAOYSA-O
Compound name
2-ethenylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.09155 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09883 132.2
[M+Na]+ 164.08077 138.5
[M-H]- 140.08427 131.3
[M+NH4]+ 159.12537 152.8
[M+K]+ 180.05471 132.1
[M+H-H2O]+ 124.08881 130.8
[M+HCOO]- 186.08975 152.6
[M+CH3COO]- 200.10540 167.2
[M+Na-2H]- 162.06622 137.5
[M]+ 141.09100 131.2
[M]- 141.09210 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.