CID 22015028

(1-bromopropyl)cyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCC(C1CCCCC1)Br
InChI
InChI=1S/C9H17Br/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKey
OJGPQTDRLMZKFW-UHFFFAOYSA-N
Compound name
1-bromopropylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

204.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 143.3
[M+Na]+ 227.040578 150.8
[M-H]- 203.044084 148.4
[M+NH4]+ 222.085183 165.6
[M+K]+ 243.014518 140.9
[M+H-H2O]+ 187.048620 143.8
[M+HCOO]- 249.049561 160.2
[M+CH3COO]- 263.065211 184.0
[M+Na-2H]- 225.026026 148.1
[M]+ 204.05081142 157.1
[M]- 204.05190858 157.1
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