CID 211998

23799-86-2

Structural Information

Molecular Formula
C13H17NS
SMILES
CC1=CC2=C(C=C1)SC=C2CCN(C)C
InChI
InChI=1S/C13H17NS/c1-10-4-5-13-12(8-10)11(9-15-13)6-7-14(2)3/h4-5,8-9H,6-7H2,1-3H3
InChIKey
YYLGWNZBHHWJAL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methyl-1-benzothiophen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11545 148.3
[M+Na]+ 242.09739 161.4
[M+NH4]+ 237.14199 159.0
[M+K]+ 258.07133 153.1
[M-H]- 218.10089 152.9
[M+Na-2H]- 240.08284 155.2
[M]+ 219.10762 152.1
[M]- 219.10872 152.1
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.