CID 11062389

Ethyl 2-methyl-2,3-butadienoate

Structural Information

Molecular Formula
C7H10O2
SMILES
CCOC(=O)C(=C=C)C
InChI
InChI=1S/C7H10O2/c1-4-6(3)7(8)9-5-2/h1,5H2,2-3H3
InChIKey
QFTBEYHBIFWGHJ-UHFFFAOYSA-N
Compound name
ethyl 2-methylbuta-2,3-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

126.06808 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.2
[M+Na]+ 149.05730 132.7
[M-H]- 125.06080 125.7
[M+NH4]+ 144.10190 147.5
[M+K]+ 165.03124 132.3
[M+H-H2O]+ 109.06534 121.0
[M+HCOO]- 171.06628 147.9
[M+CH3COO]- 185.08193 171.7
[M+Na-2H]- 147.04275 129.5
[M]+ 126.06753 126.3
[M]- 126.06863 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe