CID 3062421

3-((dimethylamino)methyl)-1(3h)-isobenzofuranthione hydrochloride

Structural Information

Molecular Formula
C11H13NOS
SMILES
CN(C)CC1C2=CC=CC=C2C(=S)O1
InChI
InChI=1S/C11H13NOS/c1-12(2)7-10-8-5-3-4-6-9(8)11(14)13-10/h3-6,10H,7H2,1-2H3
InChIKey
CCSABRMEECEISP-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-3H-2-benzofuran-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 144.0
[M+Na]+ 230.06102 152.9
[M-H]- 206.06452 151.1
[M+NH4]+ 225.10562 166.0
[M+K]+ 246.03496 151.5
[M+H-H2O]+ 190.06906 138.8
[M+HCOO]- 252.07000 163.1
[M+CH3COO]- 266.08565 190.5
[M+Na-2H]- 228.04647 147.1
[M]+ 207.07125 147.8
[M]- 207.07235 147.8
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.