CID 24974623

1-(bromomethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC(C1)(CBr)O
InChI
InChI=1S/C5H9BrO/c6-4-5(7)2-1-3-5/h7H,1-4H2
InChIKey
SVGOIPSCCKVQBW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

163.98367 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 127.3
[M+Na]+ 186.97289 125.4
[M+NH4]+ 182.01749 130.5
[M+K]+ 202.94683 126.1
[M-H]- 162.97639 124.8
[M+Na-2H]- 184.95834 129.0
[M]+ 163.98312 124.2
[M]- 163.98422 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe