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

31
Patents

180.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.022256 134.6
[M+Na]+ 203.004198 144.6
[M-H]- 179.007704 136.3
[M+NH4]+ 198.048803 157.5
[M+K]+ 218.978138 134.5
[M+H-H2O]+ 163.012240 135.5
[M+HCOO]- 225.013181 153.7
[M+CH3COO]- 239.028831 178.3
[M+Na-2H]- 200.989646 140.8
[M]+ 180.01443142 153.0
[M]- 180.01552858 153.0
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