CID 130524710

Methyl 2-amino-2-(5-bromothiophen-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
COC(=O)C(C1=CSC(=C1)Br)N
InChI
InChI=1S/C7H8BrNO2S/c1-11-7(10)6(9)4-2-5(8)12-3-4/h2-3,6H,9H2,1H3
InChIKey
WXYOXGMRXRPQHT-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(5-bromothiophen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9459 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 141.5
[M+Na]+ 271.935118 153.1
[M-H]- 247.938624 147.8
[M+NH4]+ 266.979723 164.1
[M+K]+ 287.909058 142.2
[M+H-H2O]+ 231.943160 141.3
[M+HCOO]- 293.944101 158.7
[M+CH3COO]- 307.959751 188.8
[M+Na-2H]- 269.920566 143.3
[M]+ 248.94535142 161.4
[M]- 248.94644858 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.