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

159
Patents

204.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 143.3
[M+Na]+ 227.04058 150.8
[M-H]- 203.04408 148.4
[M+NH4]+ 222.08518 165.6
[M+K]+ 243.01452 140.9
[M+H-H2O]+ 187.04862 143.8
[M+HCOO]- 249.04956 160.2
[M+CH3COO]- 263.06521 184.0
[M+Na-2H]- 225.02603 148.1
[M]+ 204.05081 157.1
[M]- 204.05191 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