CID 67361339

N-benzyl-2-bromo-3-methoxypropanamide

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
COCC(C(=O)NCC1=CC=CC=C1)Br
InChI
InChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)
InChIKey
ZNDWHVGHGXQGDS-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-3-methoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

271.02078 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 154.2
[M+Na]+ 294.01000 162.5
[M-H]- 270.01350 159.7
[M+NH4]+ 289.05460 173.4
[M+K]+ 309.98394 152.0
[M+H-H2O]+ 254.01804 152.9
[M+HCOO]- 316.01898 175.0
[M+CH3COO]- 330.03463 196.0
[M+Na-2H]- 291.99545 159.8
[M]+ 271.02023 173.1
[M]- 271.02133 173.1
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