CID 12841433

1-ethoxy-3-iodopropane

Structural Information

Molecular Formula
C5H11IO
SMILES
CCOCCCI
InChI
InChI=1S/C5H11IO/c1-2-7-5-3-4-6/h2-5H2,1H3
InChIKey
TYODDTFWIMEWAD-UHFFFAOYSA-N
Compound name
1-ethoxy-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

213.98546 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99274 132.7
[M+Na]+ 236.97468 133.0
[M-H]- 212.97818 126.3
[M+NH4]+ 232.01928 150.8
[M+K]+ 252.94862 139.0
[M+H-H2O]+ 196.98272 124.7
[M+HCOO]- 258.98366 151.6
[M+CH3COO]- 272.99931 178.4
[M+Na-2H]- 234.96013 127.3
[M]+ 213.98491 132.5
[M]- 213.98601 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe