CID 61347006

2059927-68-1

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CNC(C1=CC=C(S1)Br)C(=O)O
InChI
InChI=1S/C7H8BrNO2S/c1-9-6(7(10)11)4-2-3-5(8)12-4/h2-3,6,9H,1H3,(H,10,11)
InChIKey
RGARLGJRUCPAOP-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)-2-(methylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9459 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95318 138.5
[M+Na]+ 271.93512 138.1
[M+NH4]+ 266.97972 142.7
[M+K]+ 287.90906 140.3
[M-H]- 247.93862 137.7
[M+Na-2H]- 269.92057 139.5
[M]+ 248.94535 137.1
[M]- 248.94645 137.1
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.