CID 62764

1-(1-(2-thienyl)cyclohexyl)pyrrolidine

Structural Information

Molecular Formula
C14H21NS
SMILES
C1CCC(CC1)(C2=CC=CS2)N3CCCC3
InChI
InChI=1S/C14H21NS/c1-2-8-14(9-3-1,13-7-6-12-16-13)15-10-4-5-11-15/h6-7,12H,1-5,8-11H2
InChIKey
XLQOCWQLDNWQDM-UHFFFAOYSA-N
Compound name
1-(1-thiophen-2-ylcyclohexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

92
Patents

235.13947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14675 156.6
[M+Na]+ 258.12869 161.4
[M-H]- 234.13219 164.2
[M+NH4]+ 253.17329 178.5
[M+K]+ 274.10263 158.4
[M+H-H2O]+ 218.13673 149.6
[M+HCOO]- 280.13767 171.0
[M+CH3COO]- 294.15332 167.9
[M+Na-2H]- 256.11414 154.6
[M]+ 235.13892 151.4
[M]- 235.14002 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe