CID 23865

7384-97-6

Structural Information

Molecular Formula
C15H19NOS
SMILES
C1CCN(CC1)CC(C2=CSC3=CC=CC=C32)O
InChI
InChI=1S/C15H19NOS/c17-14(10-16-8-4-1-5-9-16)13-11-18-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17H,1,4-5,8-10H2
InChIKey
RMZFJTVQIXHXOT-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.126016 158.4
[M+Na]+ 284.107958 164.7
[M-H]- 260.111464 162.9
[M+NH4]+ 279.152563 176.4
[M+K]+ 300.081898 160.0
[M+H-H2O]+ 244.116000 151.6
[M+HCOO]- 306.116941 171.8
[M+CH3COO]- 320.132591 169.3
[M+Na-2H]- 282.093406 159.4
[M]+ 261.11819142 157.1
[M]- 261.11928858 157.1
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.