CID 6366524

Butanoic acid, 2-methyl-, 2-butenyl ester

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC(C)C(=O)OC/C=C/C
InChI
InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3/b6-4+
InChIKey
ODIRHDSCHYCWHY-GQCTYLIASA-N
Compound name
[(E)-but-2-enyl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.4
[M+Na]+ 179.10426 142.8
[M-H]- 155.10776 136.5
[M+NH4]+ 174.14886 157.7
[M+K]+ 195.07820 142.5
[M+H-H2O]+ 139.11230 131.7
[M+HCOO]- 201.11324 158.2
[M+CH3COO]- 215.12889 178.7
[M+Na-2H]- 177.08971 139.5
[M]+ 156.11449 138.9
[M]- 156.11559 138.9
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.