CID 36120

4-bromocyclohexanol

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(CCC1O)Br
InChI
InChI=1S/C6H11BrO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
InChIKey
GCSDUESLOKFUOP-UHFFFAOYSA-N
Compound name
4-bromocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 132.1
[M+Na]+ 200.98855 141.4
[M-H]- 176.99205 136.6
[M+NH4]+ 196.03315 154.9
[M+K]+ 216.96249 131.3
[M+H-H2O]+ 160.99659 133.1
[M+HCOO]- 222.99753 149.6
[M+CH3COO]- 237.01318 175.0
[M+Na-2H]- 198.97400 138.5
[M]+ 177.99878 145.3
[M]- 177.99988 145.3
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