CID 23332370

1-iodobutan-2-ol

Structural Information

Molecular Formula
C4H9IO
SMILES
CCC(CI)O
InChI
InChI=1S/C4H9IO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKey
XATASVWMNXKVMR-UHFFFAOYSA-N
Compound name
1-iodobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

199.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97708 129.6
[M+Na]+ 222.95902 129.8
[M-H]- 198.96252 122.2
[M+NH4]+ 218.00362 147.5
[M+K]+ 238.93296 135.5
[M+H-H2O]+ 182.96706 122.1
[M+HCOO]- 244.96800 146.5
[M+CH3COO]- 258.98365 173.7
[M+Na-2H]- 220.94447 123.0
[M]+ 199.96925 126.6
[M]- 199.97035 126.6
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