CID 11217598

1-bromohexan-2-ol

Structural Information

Molecular Formula
C6H13BrO
SMILES
CCCCC(CBr)O
InChI
InChI=1S/C6H13BrO/c1-2-3-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
DDKNWTWTCVDWQK-UHFFFAOYSA-N
Compound name
1-bromohexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

180.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02226 133.4
[M+Na]+ 203.00420 134.5
[M+NH4]+ 198.04880 137.9
[M+K]+ 218.97814 135.0
[M-H]- 179.00770 131.6
[M+Na-2H]- 200.98965 134.2
[M]+ 180.01443 131.6
[M]- 180.01553 131.6
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