CID 63639375

3-[(dimethylamino)methyl]thiophene-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CN(C)CC1=C(SC=C1)C(=O)O
InChI
InChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-12-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKey
ZDKXYLMFGMDYBT-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.05106 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 140.2
[M+Na]+ 208.04028 149.0
[M+NH4]+ 203.08488 148.3
[M+K]+ 224.01422 144.5
[M-H]- 184.04378 141.4
[M+Na-2H]- 206.02573 144.0
[M]+ 185.05051 141.9
[M]- 185.05161 141.9
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

patents stripe