CID 77970

6-bromo-1-hexanol

Structural Information

Molecular Formula
C6H13BrO
SMILES
C(CCCBr)CCO
InChI
InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
FCMCSZXRVWDVAW-UHFFFAOYSA-N
Compound name
6-bromohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5496
Patents

180.01498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.022256 133.7
[M+Na]+ 203.004198 144.0
[M-H]- 179.007704 135.3
[M+NH4]+ 198.048803 156.7
[M+K]+ 218.978138 133.4
[M+H-H2O]+ 163.012240 134.6
[M+HCOO]- 225.013181 153.7
[M+CH3COO]- 239.028831 177.5
[M+Na-2H]- 200.989646 141.2
[M]+ 180.01443142 152.8
[M]- 180.01552858 152.8
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