CID 36120

4-bromocyclohexan-1-ol

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
2
Annotation Hits

0
References

56
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 132.1
[M+Na]+ 200.988548 141.4
[M-H]- 176.992054 136.6
[M+NH4]+ 196.033153 154.9
[M+K]+ 216.962488 131.3
[M+H-H2O]+ 160.996590 133.1
[M+HCOO]- 222.997531 149.6
[M+CH3COO]- 237.013181 175.0
[M+Na-2H]- 198.973996 138.5
[M]+ 177.99878142 145.3
[M]- 177.99987858 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