CID 22692092

3-amino-n-(4-bromo-2-methylphenyl)propanamide

Structural Information

Molecular Formula
C10H13BrN2O
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CCN
InChI
InChI=1S/C10H13BrN2O/c1-7-6-8(11)2-3-9(7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKey
MEHJCODAEDSSJG-UHFFFAOYSA-N
Compound name
3-amino-N-(4-bromo-2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.02112 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02840 149.7
[M+Na]+ 279.01034 151.3
[M+NH4]+ 274.05494 153.8
[M+K]+ 294.98428 151.5
[M-H]- 255.01384 150.8
[M+Na-2H]- 276.99579 152.3
[M]+ 256.02057 148.8
[M]- 256.02167 148.8
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.