CID 7144865

(1s)-2-amino-1-(1-benzothiophen-2-yl)ethan-1-ol hydrochloride

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 138.5
[M+Na]+ 216.04536 147.7
[M-H]- 192.04886 142.1
[M+NH4]+ 211.08996 160.6
[M+K]+ 232.01930 143.6
[M+H-H2O]+ 176.05340 133.6
[M+HCOO]- 238.05434 157.8
[M+CH3COO]- 252.06999 152.1
[M+Na-2H]- 214.03081 142.1
[M]+ 193.05559 140.0
[M]- 193.05669 140.0
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.