CID 204742

Wv 831

Structural Information

Molecular Formula
C14H22BrNO
SMILES
CC1=CC(=C(C=C1Br)C(C)C)OCCN(C)C
InChI
InChI=1S/C14H22BrNO/c1-10(2)12-9-13(15)11(3)8-14(12)17-7-6-16(4)5/h8-10H,6-7H2,1-5H3
InChIKey
GJTLWIFFKUNIMF-UHFFFAOYSA-N
Compound name
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.08847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09575 163.9
[M+Na]+ 322.07769 173.9
[M-H]- 298.08119 171.3
[M+NH4]+ 317.12229 183.7
[M+K]+ 338.05163 163.7
[M+H-H2O]+ 282.08573 162.5
[M+HCOO]- 344.08667 184.7
[M+CH3COO]- 358.10232 209.7
[M+Na-2H]- 320.06314 166.5
[M]+ 299.08792 186.1
[M]- 299.08902 186.1
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