CID 54080265

Methyl 2-(2-bromophenyl)-2-(methylamino)acetate hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CNC(C1=CC=CC=C1Br)C(=O)OC
InChI
InChI=1S/C10H12BrNO2/c1-12-9(10(13)14-2)7-5-3-4-6-8(7)11/h3-6,9,12H,1-2H3
InChIKey
MMPLZSBZRAQUFQ-UHFFFAOYSA-N
Compound name
methyl 2-(2-bromophenyl)-2-(methylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.00513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 148.9
[M+Na]+ 279.99435 158.5
[M-H]- 255.99785 154.9
[M+NH4]+ 275.03895 169.0
[M+K]+ 295.96829 148.3
[M+H-H2O]+ 240.00239 147.9
[M+HCOO]- 302.00333 170.0
[M+CH3COO]- 316.01898 194.3
[M+Na-2H]- 277.97980 154.4
[M]+ 257.00458 167.9
[M]- 257.00568 167.9
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