CID 693141

[(1-benzothiophen-2-yl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C10H11NS
SMILES
CNCC1=CC2=CC=CC=C2S1
InChI
InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
InChIKey
FKHVKIIMXLUFHI-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

56
Patents

177.06122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 133.7
[M+Na]+ 200.05044 143.9
[M-H]- 176.05394 139.2
[M+NH4]+ 195.09504 157.6
[M+K]+ 216.02438 140.1
[M+H-H2O]+ 160.05848 128.5
[M+HCOO]- 222.05942 156.0
[M+CH3COO]- 236.07507 148.6
[M+Na-2H]- 198.03589 139.7
[M]+ 177.06067 137.2
[M]- 177.06177 137.2
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.