CID 20214109

(4-bromobutoxy)cyclohexane

Structural Information

Molecular Formula
C10H19BrO
SMILES
C1CCC(CC1)OCCCCBr
InChI
InChI=1S/C10H19BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10H,1-9H2
InChIKey
UEFLTNYXNXMBOL-UHFFFAOYSA-N
Compound name
4-bromobutoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

234.06194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06922 150.0
[M+Na]+ 257.05116 157.2
[M-H]- 233.05466 154.7
[M+NH4]+ 252.09576 171.1
[M+K]+ 273.02510 147.1
[M+H-H2O]+ 217.05920 149.9
[M+HCOO]- 279.06014 167.7
[M+CH3COO]- 293.07579 187.8
[M+Na-2H]- 255.03661 155.4
[M]+ 234.06139 166.0
[M]- 234.06249 166.0
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