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]+ 208.079076 143.2
[M+Na]+ 230.061018 152.5
[M-H]- 206.064524 148.1
[M+NH4]+ 225.105623 165.5
[M+K]+ 246.034958 149.0
[M+H-H2O]+ 190.069060 137.8
[M+HCOO]- 252.070001 163.7
[M+CH3COO]- 266.085651 186.4
[M+Na-2H]- 228.046466 146.7
[M]+ 207.07125142 146.9
[M]- 207.07234858 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.