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
1
Annotation Hits

0
References

446
Patents

204.05136 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 142.6
[M+Na]+ 227.04058 150.4
[M-H]- 203.04408 147.6
[M+NH4]+ 222.08518 165.0
[M+K]+ 243.01452 140.1
[M+H-H2O]+ 187.04862 143.0
[M+HCOO]- 249.04956 160.4
[M+CH3COO]- 263.06521 183.2
[M+Na-2H]- 225.02603 148.6
[M]+ 204.05081 157.0
[M]- 204.05191 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