CID 30572

Brn 2378862

Structural Information

Molecular Formula
C18H27BrO
SMILES
CCCCCOC(CBr)C1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C18H27BrO/c1-2-3-6-13-20-18(14-19)17-11-9-16(10-12-17)15-7-4-5-8-15/h9-12,15,18H,2-8,13-14H2,1H3
InChIKey
NSRBWYLAMGREAT-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-pentoxyethyl)-4-cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12454 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13182 180.0
[M+Na]+ 361.11376 181.3
[M+NH4]+ 356.15836 184.8
[M+K]+ 377.08770 180.4
[M-H]- 337.11726 181.9
[M+Na-2H]- 359.09921 181.8
[M]+ 338.12399 179.5
[M]- 338.12509 179.5
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.