CID 119724

27819-09-6

Structural Information

Molecular Formula
C8H12O2
SMILES
CC=CC(=O)OCC(=C)C
InChI
InChI=1S/C8H12O2/c1-4-5-8(9)10-6-7(2)3/h4-5H,2,6H2,1,3H3
InChIKey
WKMKXWTZXKHHBV-UHFFFAOYSA-N
Compound name
2-methylprop-2-enyl but-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.9
[M+Na]+ 163.072938 137.0
[M-H]- 139.076444 130.3
[M+NH4]+ 158.117543 151.7
[M+K]+ 179.046878 136.3
[M+H-H2O]+ 123.080980 125.5
[M+HCOO]- 185.081921 152.3
[M+CH3COO]- 199.097571 174.8
[M+Na-2H]- 161.058386 133.6
[M]+ 140.08317142 131.4
[M]- 140.08426858 131.4
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.