CID 22692048

3-amino-n-(4-bromophenyl)propanamide hydrochloride

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1=CC(=CC=C1NC(=O)CCN)Br
InChI
InChI=1S/C9H11BrN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
AUTQMUXONQQRPW-UHFFFAOYSA-N
Compound name
3-amino-N-(4-bromophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 145.3
[M+Na]+ 264.99470 154.7
[M-H]- 240.99820 150.7
[M+NH4]+ 260.03930 165.3
[M+K]+ 280.96864 143.0
[M+H-H2O]+ 225.00274 143.7
[M+HCOO]- 287.00368 167.7
[M+CH3COO]- 301.01933 192.8
[M+Na-2H]- 262.98015 151.6
[M]+ 242.00493 161.4
[M]- 242.00603 161.4
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.