CID 12765388

3945-85-5

Structural Information

Molecular Formula
C11H15BrO2
SMILES
COC1=C(C=C(C=C1)CCCBr)OC
InChI
InChI=1S/C11H15BrO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
COWGZRGEFNSWNK-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

258.02554 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03282 149.1
[M+Na]+ 281.01476 160.5
[M-H]- 257.01826 155.4
[M+NH4]+ 276.05936 170.1
[M+K]+ 296.98870 150.1
[M+H-H2O]+ 241.02280 148.9
[M+HCOO]- 303.02374 170.8
[M+CH3COO]- 317.03939 193.5
[M+Na-2H]- 279.00021 155.8
[M]+ 258.02499 171.6
[M]- 258.02609 171.6
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.