CID 547895

1-iodo-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H9IO
SMILES
CC(C)(CI)O
InChI
InChI=1S/C4H9IO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKey
UOQIHMBZKSCLPI-UHFFFAOYSA-N
Compound name
1-iodo-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

199.9698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97708 129.9
[M+Na]+ 222.95902 130.8
[M-H]- 198.96252 122.8
[M+NH4]+ 218.00362 148.0
[M+K]+ 238.93296 136.4
[M+H-H2O]+ 182.96706 123.0
[M+HCOO]- 244.96800 146.3
[M+CH3COO]- 258.98365 173.2
[M+Na-2H]- 220.94447 125.1
[M]+ 199.96925 127.1
[M]- 199.97035 127.1
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