CID 3733262

142919-86-6

Structural Information

Molecular Formula
C10H16N2S
SMILES
C1CCN(C1)C(CN)C2=CC=CS2
InChI
InChI=1S/C10H16N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2
InChIKey
HZLMJMYZCMEADV-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 144.9
[M+Na]+ 219.092638 150.8
[M-H]- 195.096144 149.8
[M+NH4]+ 214.137243 166.3
[M+K]+ 235.066578 148.5
[M+H-H2O]+ 179.100680 138.1
[M+HCOO]- 241.101621 162.4
[M+CH3COO]- 255.117271 157.1
[M+Na-2H]- 217.078086 143.2
[M]+ 196.10287142 142.3
[M]- 196.10396858 142.3
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

No patent data available for this compound.