CID 263597

3-bromo-n-(4-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
COC1=CC=C(C=C1)NC(=O)CCBr
InChI
InChI=1S/C10H12BrNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
PQJSGZILSMAKJP-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 148.2
[M+Na]+ 279.99435 158.2
[M-H]- 255.99785 154.2
[M+NH4]+ 275.03895 168.4
[M+K]+ 295.96829 147.4
[M+H-H2O]+ 240.00239 147.2
[M+HCOO]- 302.00333 170.3
[M+CH3COO]- 316.01898 193.4
[M+Na-2H]- 277.97980 155.0
[M]+ 257.00458 167.8
[M]- 257.00568 167.8
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.