CID 84733069

3-(bromomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC(CC(C1)O)CBr
InChI
InChI=1S/C7H13BrO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-5H2
InChIKey
SCWZVYFLGBDUFF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 136.7
[M+Na]+ 215.00420 145.6
[M-H]- 191.00770 141.0
[M+NH4]+ 210.04880 159.0
[M+K]+ 230.97814 135.2
[M+H-H2O]+ 175.01224 137.5
[M+HCOO]- 237.01318 153.9
[M+CH3COO]- 251.02883 177.8
[M+Na-2H]- 212.98965 142.6
[M]+ 192.01443 150.2
[M]- 192.01553 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe