CID 13522989

1-iodo-3-methoxypropane

Structural Information

Molecular Formula
C4H9IO
SMILES
COCCCI
InChI
InChI=1S/C4H9IO/c1-6-4-2-3-5/h2-4H2,1H3
InChIKey
DFNCRJSFSDJOBT-UHFFFAOYSA-N
Compound name
1-iodo-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

199.9698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97708 127.8
[M+Na]+ 222.95902 128.5
[M-H]- 198.96252 121.6
[M+NH4]+ 218.00362 146.4
[M+K]+ 238.93296 134.8
[M+H-H2O]+ 182.96706 120.0
[M+HCOO]- 244.96800 147.0
[M+CH3COO]- 258.98365 175.5
[M+Na-2H]- 220.94447 123.0
[M]+ 199.96925 127.3
[M]- 199.97035 127.3
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