CID 5463376

Methyl (2e)-3-iodoprop-2-enoate

Structural Information

Molecular Formula
C4H5IO2
SMILES
COC(=O)/C=C/I
InChI
InChI=1S/C4H5IO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+
InChIKey
SUQXOFVGKSUSSM-NSCUHMNNSA-N
Compound name
methyl (E)-3-iodoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

211.93343 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94071 128.1
[M+Na]+ 234.92265 129.3
[M-H]- 210.92615 122.1
[M+NH4]+ 229.96725 146.2
[M+K]+ 250.89659 135.2
[M+H-H2O]+ 194.93069 120.4
[M+HCOO]- 256.93163 147.1
[M+CH3COO]- 270.94728 175.0
[M+Na-2H]- 232.90810 122.2
[M]+ 211.93288 126.9
[M]- 211.93398 126.9
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