CID 7144865

2171204-06-9

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1=CC=C2C(=C1)C=C(S2)[C@H](CN)O
InChI
InChI=1S/C10H11NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/t8-/m0/s1
InChIKey
DBAUVLAWSVALIA-QMMMGPOBSA-N
Compound name
(1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 138.2
[M+Na]+ 216.04536 149.6
[M+NH4]+ 211.08996 147.9
[M+K]+ 232.01930 143.3
[M-H]- 192.04886 141.1
[M+Na-2H]- 214.03081 144.0
[M]+ 193.05559 141.0
[M]- 193.05669 141.0
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.