CID 16495144

[1-(thiophen-2-yl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C10H15NS
SMILES
C1CCC(C1)(CN)C2=CC=CS2
InChI
InChI=1S/C10H15NS/c11-8-10(5-1-2-6-10)9-4-3-7-12-9/h3-4,7H,1-2,5-6,8,11H2
InChIKey
MDNIELHLGOAGCL-UHFFFAOYSA-N
Compound name
(1-thiophen-2-ylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

181.09251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.099786 140.3
[M+Na]+ 204.081728 147.4
[M-H]- 180.085234 146.7
[M+NH4]+ 199.126333 165.6
[M+K]+ 220.055668 144.6
[M+H-H2O]+ 164.089770 135.2
[M+HCOO]- 226.090711 160.0
[M+CH3COO]- 240.106361 153.7
[M+Na-2H]- 202.067176 141.2
[M]+ 181.09196142 138.0
[M]- 181.09305858 138.0
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