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

5680
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 133.7
[M+Na]+ 203.00420 144.0
[M-H]- 179.00770 135.3
[M+NH4]+ 198.04880 156.7
[M+K]+ 218.97814 133.4
[M+H-H2O]+ 163.01224 134.6
[M+HCOO]- 225.01318 153.7
[M+CH3COO]- 239.02883 177.5
[M+Na-2H]- 200.98965 141.2
[M]+ 180.01443 152.8
[M]- 180.01553 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