CID 2060254

434303-01-2

Structural Information

Molecular Formula
C12H18BrNO2
SMILES
CC1=CC(=C(C=C1)OCCNCCOC)Br
InChI
InChI=1S/C12H18BrNO2/c1-10-3-4-12(11(13)9-10)16-8-6-14-5-7-15-2/h3-4,9,14H,5-8H2,1-2H3
InChIKey
WNKXJZTYQGZXLA-UHFFFAOYSA-N
Compound name
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0521 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05938 157.5
[M+Na]+ 310.04132 167.3
[M-H]- 286.04482 163.3
[M+NH4]+ 305.08592 176.9
[M+K]+ 326.01526 156.3
[M+H-H2O]+ 270.04936 156.1
[M+HCOO]- 332.05030 179.6
[M+CH3COO]- 346.06595 200.8
[M+Na-2H]- 308.02677 163.7
[M]+ 287.05155 179.4
[M]- 287.05265 179.4
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.