CID 13066122

Ethyl (3e)-4-methoxy-2-oxopent-3-enoate

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)C(=O)/C=C(\C)/OC
InChI
InChI=1S/C8H12O4/c1-4-12-8(10)7(9)5-6(2)11-3/h5H,4H2,1-3H3/b6-5+
InChIKey
QQTWBKLZHTXDCM-AATRIKPKSA-N
Compound name
ethyl (E)-4-methoxy-2-oxopent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.6
[M+Na]+ 195.06278 142.3
[M-H]- 171.06628 135.9
[M+NH4]+ 190.10738 155.9
[M+K]+ 211.03672 143.1
[M+H-H2O]+ 155.07082 130.8
[M+HCOO]- 217.07176 157.4
[M+CH3COO]- 231.08741 179.7
[M+Na-2H]- 193.04823 138.1
[M]+ 172.07301 139.3
[M]- 172.07411 139.3
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

patents stripe