CID 30571

21270-09-7

Structural Information

Molecular Formula
C17H25BrO
SMILES
CCCCOC(CBr)C1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C17H25BrO/c1-2-3-12-19-17(13-18)16-10-8-15(9-11-16)14-6-4-5-7-14/h8-11,14,17H,2-7,12-13H2,1H3
InChIKey
IOUWQAOZAPRBBY-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-butoxyethyl)-4-cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1089 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11618 178.0
[M+Na]+ 347.09812 185.2
[M-H]- 323.10162 185.8
[M+NH4]+ 342.14272 197.4
[M+K]+ 363.07206 173.7
[M+H-H2O]+ 307.10616 176.9
[M+HCOO]- 369.10710 196.1
[M+CH3COO]- 383.12275 204.6
[M+Na-2H]- 345.08357 178.6
[M]+ 324.10835 195.8
[M]- 324.10945 195.8
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

No patent data available for this compound.