CID 3062401

3-((dimethylamino)methyl)-6-hydroxybenzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CN(C)CC1C2=C(C=C(C=C2)O)C(=O)S1
InChI
InChI=1S/C11H13NO2S/c1-12(2)6-10-8-4-3-7(13)5-9(8)11(14)15-10/h3-5,10,13H,6H2,1-2H3
InChIKey
RFUXRRGRONDQGA-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-6-hydroxy-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.073976 147.0
[M+Na]+ 246.055918 155.8
[M-H]- 222.059424 152.1
[M+NH4]+ 241.100523 168.9
[M+K]+ 262.029858 153.1
[M+H-H2O]+ 206.063960 141.9
[M+HCOO]- 268.064901 165.4
[M+CH3COO]- 282.080551 191.2
[M+Na-2H]- 244.041366 148.4
[M]+ 223.06615142 150.2
[M]- 223.06724858 150.2
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.