CID 96426

(3-bromopropyl)cyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
C1CCC(CC1)CCCBr
InChI
InChI=1S/C9H17Br/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
SAJKBMWWUCUTBI-UHFFFAOYSA-N
Compound name
3-bromopropylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

418
Patents

204.05136 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 142.6
[M+Na]+ 227.040578 150.4
[M-H]- 203.044084 147.6
[M+NH4]+ 222.085183 165.0
[M+K]+ 243.014518 140.1
[M+H-H2O]+ 187.048620 143.0
[M+HCOO]- 249.049561 160.4
[M+CH3COO]- 263.065211 183.2
[M+Na-2H]- 225.026026 148.6
[M]+ 204.05081142 157.0
[M]- 204.05190858 157.0
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