CID 55271649

2-(3-chlorothiophen-2-yl)pyrrolidine

Structural Information

Molecular Formula
C8H10ClNS
SMILES
C1CC(NC1)C2=C(C=CS2)Cl
InChI
InChI=1S/C8H10ClNS/c9-6-3-5-11-8(6)7-2-1-4-10-7/h3,5,7,10H,1-2,4H2
InChIKey
VWFUUDCALRFEGJ-UHFFFAOYSA-N
Compound name
2-(3-chlorothiophen-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.029526 140.4
[M+Na]+ 210.011468 149.5
[M-H]- 186.014974 144.9
[M+NH4]+ 205.056073 163.2
[M+K]+ 225.985408 145.0
[M+H-H2O]+ 170.019510 135.4
[M+HCOO]- 232.020451 153.0
[M+CH3COO]- 246.036101 153.5
[M+Na-2H]- 207.996916 139.3
[M]+ 187.02170142 139.5
[M]- 187.02279858 139.5
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.