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]+ 178.068496 133.7
[M+Na]+ 200.050438 143.9
[M-H]- 176.053944 139.2
[M+NH4]+ 195.095043 157.6
[M+K]+ 216.024378 140.1
[M+H-H2O]+ 160.058480 128.5
[M+HCOO]- 222.059421 156.0
[M+CH3COO]- 236.075071 148.6
[M+Na-2H]- 198.035886 139.7
[M]+ 177.06067142 137.2
[M]- 177.06176858 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

literature stripe

Patent stripe

patents stripe