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
2
Annotation Hits

4
References

5230
Patents

180.01498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02226 134.4
[M+Na]+ 203.00420 135.8
[M+NH4]+ 198.04880 139.0
[M+K]+ 218.97814 135.5
[M-H]- 179.00770 132.8
[M+Na-2H]- 200.98965 135.4
[M]+ 180.01443 132.8
[M]- 180.01553 132.8
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