CID 145913423

1-(iodomethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H9IO
SMILES
C1CC(C1)(CI)O
InChI
InChI=1S/C5H9IO/c6-4-5(7)2-1-3-5/h7H,1-4H2
InChIKey
OCHBRCUATRHNRF-UHFFFAOYSA-N
Compound name
1-(iodomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9698 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977076 129.3
[M+Na]+ 234.959018 128.9
[M-H]- 210.962524 125.3
[M+NH4]+ 230.003623 142.5
[M+K]+ 250.932958 136.4
[M+H-H2O]+ 194.967060 118.0
[M+HCOO]- 256.968001 145.4
[M+CH3COO]- 270.983651 176.9
[M+Na-2H]- 232.944466 124.8
[M]+ 211.96925142 133.1
[M]- 211.97034858 133.1
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

No patent data available for this compound.