CID 54595909

2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CN(C)C(C1=CC(=CS1)Br)C(=O)O
InChI
InChI=1S/C8H10BrNO2S/c1-10(2)7(8(11)12)6-3-5(9)4-13-6/h3-4,7H,1-2H3,(H,11,12)
InChIKey
YUTKMLHIAVXIEA-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.96155 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96883 145.7
[M+Na]+ 285.95077 156.6
[M-H]- 261.95427 152.5
[M+NH4]+ 280.99537 167.9
[M+K]+ 301.92471 146.3
[M+H-H2O]+ 245.95881 145.4
[M+HCOO]- 307.95975 162.3
[M+CH3COO]- 321.97540 193.6
[M+Na-2H]- 283.93622 147.0
[M]+ 262.96100 166.4
[M]- 262.96210 166.4
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.