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

74
Patents

213.98546 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.992736 132.7
[M+Na]+ 236.974678 133.0
[M-H]- 212.978184 126.3
[M+NH4]+ 232.019283 150.8
[M+K]+ 252.948618 139.0
[M+H-H2O]+ 196.982720 124.7
[M+HCOO]- 258.983661 151.6
[M+CH3COO]- 272.999311 178.4
[M+Na-2H]- 234.960126 127.3
[M]+ 213.98491142 132.5
[M]- 213.98600858 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