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 135.8
[M+Na]+ 192.04536 143.7
[M-H]- 168.04886 139.0
[M+NH4]+ 187.08996 159.5
[M+K]+ 208.01930 140.7
[M+H-H2O]+ 152.05340 131.0
[M+HCOO]- 214.05434 152.0
[M+CH3COO]- 228.06999 148.7
[M+Na-2H]- 190.03081 137.2
[M]+ 169.05559 132.8
[M]- 169.05669 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.