CID 210011

20841-36-5

Structural Information

Molecular Formula
C11H13NS
SMILES
CC1=CC2=C(C=C1)SC=C2CCN
InChI
InChI=1S/C11H13NS/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7H,4-5,12H2,1H3
InChIKey
AHGVUNTZIGJFRY-UHFFFAOYSA-N
Compound name
2-(5-methyl-1-benzothiophen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.07687 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08415 138.6
[M+Na]+ 214.06609 149.2
[M-H]- 190.06959 143.8
[M+NH4]+ 209.11069 162.0
[M+K]+ 230.04003 144.8
[M+H-H2O]+ 174.07413 133.5
[M+HCOO]- 236.07507 159.9
[M+CH3COO]- 250.09072 153.1
[M+Na-2H]- 212.05154 142.4
[M]+ 191.07632 141.8
[M]- 191.07742 141.8
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