CID 11820084

Iodomethyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OCI

InChI

InChI=1S/C3H5IO2/c1-3(5)6-2-4/h2H2,1H3

InChIKey

NZDJTVSTIFYISQ-UHFFFAOYSA-N

Compound name

iodomethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 501
Patents: 199.93343 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.94071	125.1
[M+Na]+	222.92265	126.4
[M-H]-	198.92615	119.3
[M+NH4]+	217.96725	143.6
[M+K]+	238.89659	133.1
[M+H-H2O]+	182.93069	117.5
[M+HCOO]-	244.93163	144.2
[M+CH3COO]-	258.94728	173.7
[M+Na-2H]-	220.90810	119.7
[M]+	199.93288	124.3
[M]-	199.93398	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe