CID 3051401

67465-15-0

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1CNCC1(C2=CC=CS2)O
InChI
InChI=1S/C8H11NOS/c10-8(3-4-9-6-8)7-2-1-5-11-7/h1-2,5,9-10H,3-4,6H2
InChIKey
YTJKEGCTGJSZCE-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 135.5
[M+Na]+ 192.04536 144.5
[M+NH4]+ 187.08996 146.0
[M+K]+ 208.01930 138.8
[M-H]- 168.04886 137.3
[M+Na-2H]- 190.03081 141.7
[M]+ 169.05559 137.6
[M]- 169.05669 137.6
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.