CID 75480872

2-[(e)-2-(thiophen-2-yl)ethenyl]pyrrolidine

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CC(NC1)/C=C/C2=CC=CS2
InChI
InChI=1S/C10H13NS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h2,4-6,8-9,11H,1,3,7H2/b6-5+
InChIKey
ANGSYDVPBRYIMH-AATRIKPKSA-N
Compound name
2-[(E)-2-thiophen-2-ylethenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 141.2
[M+Na]+ 202.06609 148.3
[M-H]- 178.06959 145.3
[M+NH4]+ 197.11069 163.3
[M+K]+ 218.04003 144.6
[M+H-H2O]+ 162.07413 135.2
[M+HCOO]- 224.07507 158.1
[M+CH3COO]- 238.09072 153.8
[M+Na-2H]- 200.05154 140.3
[M]+ 179.07632 138.2
[M]- 179.07742 138.2
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.