CID 13111845

4-bromobutan-2-ol

Structural Information

Molecular Formula
C4H9BrO
SMILES
CC(CCBr)O
InChI
InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3
InChIKey
KHZTWUIVCAAVDC-UHFFFAOYSA-N
Compound name
4-bromobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

151.98367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 124.4
[M+Na]+ 174.97289 125.9
[M+NH4]+ 170.01749 129.3
[M+K]+ 190.94683 126.9
[M-H]- 150.97639 122.7
[M+Na-2H]- 172.95834 125.8
[M]+ 151.98312 122.8
[M]- 151.98422 122.8
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