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 182.6
[M+Na]+ 361.11376 189.3
[M-H]- 337.11726 190.2
[M+NH4]+ 356.15836 201.4
[M+K]+ 377.08770 177.6
[M+H-H2O]+ 321.12180 181.3
[M+HCOO]- 383.12274 200.3
[M+CH3COO]- 397.13839 207.3
[M+Na-2H]- 359.09921 182.6
[M]+ 338.12399 200.7
[M]- 338.12509 200.7
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.