CID 208108

31648-10-9

Structural Information

Molecular Formula
C12H19NOS
SMILES
C1CCN(C1)CCCC(C2=CSC=C2)O
InChI
InChI=1S/C12H19NOS/c14-12(11-5-9-15-10-11)4-3-8-13-6-1-2-7-13/h5,9-10,12,14H,1-4,6-8H2
InChIKey
NNBCOPJJHLBKAN-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-1-thiophen-3-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 153.0
[M+Na]+ 248.10795 161.3
[M+NH4]+ 243.15255 161.6
[M+K]+ 264.08189 156.8
[M-H]- 224.11145 155.0
[M+Na-2H]- 246.09340 156.9
[M]+ 225.11818 154.9
[M]- 225.11928 154.9
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.