CID 119724

2-butenoic acid, 2-methyl-2-propen-1-yl ester

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
1
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]+ 141.09100 129.9
[M+Na]+ 163.07294 137.0
[M-H]- 139.07644 130.3
[M+NH4]+ 158.11754 151.7
[M+K]+ 179.04688 136.3
[M+H-H2O]+ 123.08098 125.5
[M+HCOO]- 185.08192 152.3
[M+CH3COO]- 199.09757 174.8
[M+Na-2H]- 161.05839 133.6
[M]+ 140.08317 131.4
[M]- 140.08427 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.