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]+ 212.97708 129.3
[M+Na]+ 234.95902 128.9
[M-H]- 210.96252 125.3
[M+NH4]+ 230.00362 142.5
[M+K]+ 250.93296 136.4
[M+H-H2O]+ 194.96706 118.0
[M+HCOO]- 256.96800 145.4
[M+CH3COO]- 270.98365 176.9
[M+Na-2H]- 232.94447 124.8
[M]+ 211.96925 133.1
[M]- 211.97035 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.