CID 55449

N-(3-(4-bromophenyl)-3-oxopropyl)-n-methylglycine hydrochloride

Structural Information

Molecular Formula
C12H14BrNO3
SMILES
CN(CCC(=O)C1=CC=C(C=C1)Br)CC(=O)O
InChI
InChI=1S/C12H14BrNO3/c1-14(8-12(16)17)7-6-11(15)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17)
InChIKey
BLGTZFFBZAVEEA-UHFFFAOYSA-N
Compound name
2-[[3-(4-bromophenyl)-3-oxopropyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.01572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.02300 156.1
[M+Na]+ 322.00494 157.0
[M+NH4]+ 317.04954 159.1
[M+K]+ 337.97888 158.5
[M-H]- 298.00844 155.5
[M+Na-2H]- 319.99039 157.8
[M]+ 299.01517 154.6
[M]- 299.01627 154.6
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.