CID 10857638

Methyl (2z)-2-iodo-3-methoxyprop-2-enoate

Structural Information

Molecular Formula
C5H7IO3
SMILES
CO/C=C(/C(=O)OC)\I
InChI
InChI=1S/C5H7IO3/c1-8-3-4(6)5(7)9-2/h3H,1-2H3/b4-3-
InChIKey
MDXPNXGUQIAENO-ARJAWSKDSA-N
Compound name
methyl (Z)-2-iodo-3-methoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

241.94398 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95126 136.9
[M+Na]+ 264.93320 137.5
[M-H]- 240.93670 130.8
[M+NH4]+ 259.97780 153.7
[M+K]+ 280.90714 143.9
[M+H-H2O]+ 224.94124 128.8
[M+HCOO]- 286.94218 154.8
[M+CH3COO]- 300.95783 180.5
[M+Na-2H]- 262.91865 129.1
[M]+ 241.94343 136.7
[M]- 241.94453 136.7
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