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 159.6
[M-H]- 255.01384 155.3
[M+NH4]+ 274.05494 169.5
[M+K]+ 294.98428 147.7
[M+H-H2O]+ 239.01838 148.1
[M+HCOO]- 301.01932 171.7
[M+CH3COO]- 315.03497 196.7
[M+Na-2H]- 276.99579 154.8
[M]+ 256.02057 166.4
[M]- 256.02167 166.4
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.