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]+ 170.063416 135.8
[M+Na]+ 192.045358 143.7
[M-H]- 168.048864 139.0
[M+NH4]+ 187.089963 159.5
[M+K]+ 208.019298 140.7
[M+H-H2O]+ 152.053400 131.0
[M+HCOO]- 214.054341 152.0
[M+CH3COO]- 228.069991 148.7
[M+Na-2H]- 190.030806 137.2
[M]+ 169.05559142 132.8
[M]- 169.05668858 132.8
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.