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]+ 249.95318 141.5
[M+Na]+ 271.93512 153.1
[M-H]- 247.93862 147.8
[M+NH4]+ 266.97972 164.1
[M+K]+ 287.90906 142.2
[M+H-H2O]+ 231.94316 141.3
[M+HCOO]- 293.94410 158.7
[M+CH3COO]- 307.95975 188.8
[M+Na-2H]- 269.92057 143.3
[M]+ 248.94535 161.4
[M]- 248.94645 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.