CID 43135431

(3-bromopropoxy)cyclohexane

Structural Information

Molecular Formula
C9H17BrO
SMILES
C1CCC(CC1)OCCCBr
InChI
InChI=1S/C9H17BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
BEADYWMTBPCTRS-UHFFFAOYSA-N
Compound name
3-bromopropoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.04628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 145.4
[M+Na]+ 243.03550 153.1
[M-H]- 219.03900 150.3
[M+NH4]+ 238.08010 167.1
[M+K]+ 259.00944 143.2
[M+H-H2O]+ 203.04354 145.5
[M+HCOO]- 265.04448 163.4
[M+CH3COO]- 279.06013 185.0
[M+Na-2H]- 241.02095 151.4
[M]+ 220.04573 161.1
[M]- 220.04683 161.1
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