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 156.3
[M+Na]+ 270.09231 164.3
[M-H]- 246.09581 161.8
[M+NH4]+ 265.13691 177.0
[M+K]+ 286.06625 160.2
[M+H-H2O]+ 230.10035 150.5
[M+HCOO]- 292.10129 172.5
[M+CH3COO]- 306.11694 168.5
[M+Na-2H]- 268.07776 155.9
[M]+ 247.10254 157.3
[M]- 247.10364 157.3
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

patents stripe