CID 75356206

4-iodo-2-methylbutan-2-ol

Structural Information

Molecular Formula
C5H11IO
SMILES
CC(C)(CCI)O
InChI
InChI=1S/C5H11IO/c1-5(2,7)3-4-6/h7H,3-4H2,1-2H3
InChIKey
ZHQRDZIRSPGMID-UHFFFAOYSA-N
Compound name
4-iodo-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

213.98546 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99274 134.9
[M+Na]+ 236.97468 135.3
[M-H]- 212.97818 127.5
[M+NH4]+ 232.01928 152.4
[M+K]+ 252.94862 140.6
[M+H-H2O]+ 196.98272 127.7
[M+HCOO]- 258.98366 150.9
[M+CH3COO]- 272.99931 176.0
[M+Na-2H]- 234.96013 129.4
[M]+ 213.98491 132.4
[M]- 213.98601 132.4
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