CID 10419281

Methyl 3-methyl-4-oxopent-2-enoate

Structural Information

Molecular Formula
C7H10O3
SMILES
C/C(=C\C(=O)OC)/C(=O)C
InChI
InChI=1S/C7H10O3/c1-5(6(2)8)4-7(9)10-3/h4H,1-3H3/b5-4+
InChIKey
JDAODWYVSFNKRR-SNAWJCMRSA-N
Compound name
methyl (E)-3-methyl-4-oxopent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 128.0
[M+Na]+ 165.052208 135.2
[M-H]- 141.055714 128.6
[M+NH4]+ 160.096813 149.6
[M+K]+ 181.026148 135.8
[M+H-H2O]+ 125.060250 123.7
[M+HCOO]- 187.061191 149.9
[M+CH3COO]- 201.076841 174.6
[M+Na-2H]- 163.037656 131.0
[M]+ 142.06244142 129.9
[M]- 142.06353858 129.9
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