CID 112693350

1270451-32-5

Structural Information

Molecular Formula
C11H13NOS
SMILES
COCC(C1=CC2=CC=CC=C2S1)N
InChI
InChI=1S/C11H13NOS/c1-13-7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9H,7,12H2,1H3
InChIKey
URDTVUKYOYAQPH-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 143.2
[M+Na]+ 230.06102 152.5
[M-H]- 206.06452 148.1
[M+NH4]+ 225.10562 165.5
[M+K]+ 246.03496 149.0
[M+H-H2O]+ 190.06906 137.8
[M+HCOO]- 252.07000 163.7
[M+CH3COO]- 266.08565 186.4
[M+Na-2H]- 228.04647 146.7
[M]+ 207.07125 146.9
[M]- 207.07235 146.9
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.