CID 4441627

141693-19-8

Structural Information

Molecular Formula
C8H10O4
SMILES
COC1=CC(=O)C(C1)C(=O)OC
InChI
InChI=1S/C8H10O4/c1-11-5-3-6(7(9)4-5)8(10)12-2/h4,6H,3H2,1-2H3
InChIKey
HWRHBSUZMNXAQK-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

170.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 131.9
[M+Na]+ 193.04712 140.7
[M-H]- 169.05062 136.1
[M+NH4]+ 188.09172 154.4
[M+K]+ 209.02106 140.8
[M+H-H2O]+ 153.05516 127.2
[M+HCOO]- 215.05610 156.4
[M+CH3COO]- 229.07175 177.6
[M+Na-2H]- 191.03257 135.1
[M]+ 170.05735 135.2
[M]- 170.05845 135.2
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