CID 23801

Alpha-(pyrrolidinomethyl)benzo(b)thiophene-3-methanol hydrochloride

Structural Information

Molecular Formula
C14H17NOS
SMILES
C1CCN(C1)CC(C2=CSC3=CC=CC=C32)O
InChI
InChI=1S/C14H17NOS/c16-13(9-15-7-3-4-8-15)12-10-17-14-6-2-1-5-11(12)14/h1-2,5-6,10,13,16H,3-4,7-9H2
InChIKey
NAELFRPNHMIXNT-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10309 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11037 154.5
[M+Na]+ 270.09231 165.7
[M+NH4]+ 265.13691 164.2
[M+K]+ 286.06625 160.3
[M-H]- 246.09581 157.9
[M+Na-2H]- 268.07776 160.2
[M]+ 247.10254 157.5
[M]- 247.10364 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.