CID 79136

1-iodo-2-methoxyethane

Structural Information

Molecular Formula
C3H7IO
SMILES
COCCI
InChI
InChI=1S/C3H7IO/c1-5-3-2-4/h2-3H2,1H3
InChIKey
SZCAORBAQHOJQI-UHFFFAOYSA-N
Compound name
1-iodo-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

990
Patents

185.95416 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.961436 122.8
[M+Na]+ 208.943378 124.0
[M-H]- 184.946884 116.8
[M+NH4]+ 203.987983 142.0
[M+K]+ 224.917318 130.5
[M+H-H2O]+ 168.951420 115.3
[M+HCOO]- 230.952361 142.4
[M+CH3COO]- 244.968011 172.7
[M+Na-2H]- 206.928826 118.7
[M]+ 185.95361142 122.0
[M]- 185.95470858 122.0
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