CID 84801501

2-amino-1-(3-bromo-2,4-dimethylphenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC1=C(C(=C(C=C1)C(=O)CN)C)Br
InChI
InChI=1S/C10H12BrNO/c1-6-3-4-8(9(13)5-12)7(2)10(6)11/h3-4H,5,12H2,1-2H3
InChIKey
QYLWSMKMXWMXFJ-UHFFFAOYSA-N
Compound name
2-amino-1-(3-bromo-2,4-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 145.1
[M+Na]+ 263.99944 156.8
[M-H]- 240.00294 151.3
[M+NH4]+ 259.04404 166.2
[M+K]+ 279.97338 145.3
[M+H-H2O]+ 224.00748 144.7
[M+HCOO]- 286.00842 166.3
[M+CH3COO]- 300.02407 193.8
[M+Na-2H]- 261.98489 149.5
[M]+ 241.00967 163.2
[M]- 241.01077 163.2
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.