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]+ 262.12602 158.4
[M+Na]+ 284.10796 164.7
[M-H]- 260.11146 162.9
[M+NH4]+ 279.15256 176.4
[M+K]+ 300.08190 160.0
[M+H-H2O]+ 244.11600 151.6
[M+HCOO]- 306.11694 171.8
[M+CH3COO]- 320.13259 169.3
[M+Na-2H]- 282.09341 159.4
[M]+ 261.11819 157.1
[M]- 261.11929 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.