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]+ 188.02953 140.4
[M+Na]+ 210.01147 149.5
[M-H]- 186.01497 144.9
[M+NH4]+ 205.05607 163.2
[M+K]+ 225.98541 145.0
[M+H-H2O]+ 170.01951 135.4
[M+HCOO]- 232.02045 153.0
[M+CH3COO]- 246.03610 153.5
[M+Na-2H]- 207.99692 139.3
[M]+ 187.02170 139.5
[M]- 187.02280 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.