CID 20098884

893742-79-5

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CN(C)CC1=CC=C(S1)CN

InChI

InChI=1S/C8H14N2S/c1-10(2)6-8-4-3-7(5-9)11-8/h3-4H,5-6,9H2,1-2H3

InChIKey

SAJLJLAEWLRFAD-UHFFFAOYSA-N

Compound name

[5-[(dimethylamino)methyl]thiophen-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.08777 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.095046	136.6
[M+Na]+	193.076988	144.0
[M-H]-	169.080494	141.5
[M+NH4]+	188.121593	159.5
[M+K]+	209.050928	142.5
[M+H-H2O]+	153.085030	130.4
[M+HCOO]-	215.085971	158.5
[M+CH3COO]-	229.101621	185.9
[M+Na-2H]-	191.062436	137.9
[M]+	170.08722142	138.2
[M]-	170.08831858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe