CID 11030827

4-iodobutan-1-ol

Structural Information

Molecular Formula
C4H9IO
SMILES
C(CCI)CO
InChI
InChI=1S/C4H9IO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
VRICZARLROAIDW-UHFFFAOYSA-N
Compound name
4-iodobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

199.9698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97708 129.7
[M+Na]+ 222.95902 130.0
[M-H]- 198.96252 122.1
[M+NH4]+ 218.00362 147.6
[M+K]+ 238.93296 135.3
[M+H-H2O]+ 182.96706 122.0
[M+HCOO]- 244.96800 147.4
[M+CH3COO]- 258.98365 172.9
[M+Na-2H]- 220.94447 124.2
[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

literature stripe

Patent stripe

patents stripe