CID 6435824

2-methylpropyl 2-butenoate

Structural Information

Molecular Formula
C8H14O2
SMILES
C/C=C\C(=O)OCC(C)C
InChI
InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-
InChIKey
XDOWKOALJBOBBL-PLNGDYQASA-N
Compound name
2-methylpropyl (Z)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

676
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.7
[M+Na]+ 165.088598 138.4
[M-H]- 141.092104 132.0
[M+NH4]+ 160.133203 153.5
[M+K]+ 181.062538 138.4
[M+H-H2O]+ 125.096640 127.2
[M+HCOO]- 187.097581 153.8
[M+CH3COO]- 201.113231 175.7
[M+Na-2H]- 163.074046 135.3
[M]+ 142.09883142 133.8
[M]- 142.09992858 133.8
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.