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

33
Patents

213.98546 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.992736 134.9
[M+Na]+ 236.974678 135.3
[M-H]- 212.978184 127.5
[M+NH4]+ 232.019283 152.4
[M+K]+ 252.948618 140.6
[M+H-H2O]+ 196.982720 127.7
[M+HCOO]- 258.983661 150.9
[M+CH3COO]- 272.999311 176.0
[M+Na-2H]- 234.960126 129.4
[M]+ 213.98491142 132.4
[M]- 213.98600858 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