CID 24843823

O-propionotoluidide, 3-bromo-n-(2-methoxyethyl)-

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CC1=CC=CC=C1N(CCOC)C(=O)CCBr
InChI
InChI=1S/C13H18BrNO2/c1-11-5-3-4-6-12(11)15(9-10-17-2)13(16)7-8-14/h3-6H,7-10H2,1-2H3
InChIKey
MEPCRSXIPWDUQR-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0521 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 162.1
[M+Na]+ 322.04132 171.0
[M-H]- 298.04482 169.0
[M+NH4]+ 317.08592 181.3
[M+K]+ 338.01526 160.9
[M+H-H2O]+ 282.04936 160.4
[M+HCOO]- 344.05030 183.7
[M+CH3COO]- 358.06595 205.1
[M+Na-2H]- 320.02677 166.5
[M]+ 299.05155 183.9
[M]- 299.05265 183.9
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.