CID 4716479

N-ethyl-(2-thienylmethyl)amine

Structural Information

Molecular Formula
C7H11NS
SMILES
CCNCC1=CC=CS1
InChI
InChI=1S/C7H11NS/c1-2-8-6-7-4-3-5-9-7/h3-5,8H,2,6H2,1H3
InChIKey
LZRQTSDHULJXBN-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

104
Patents

141.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.8
[M+Na]+ 164.05044 139.2
[M+NH4]+ 159.09504 138.8
[M+K]+ 180.02438 132.2
[M-H]- 140.05394 131.8
[M+Na-2H]- 162.03589 134.8
[M]+ 141.06067 131.5
[M]- 141.06177 131.5
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