CID 4279427

1-(5-methylthiophen-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=CC=C(S1)C(C)N
InChI
InChI=1S/C7H11NS/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKey
CODYMUAFGSPBNA-UHFFFAOYSA-N
Compound name
1-(5-methylthiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

141.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 128.7
[M+Na]+ 164.050438 137.1
[M-H]- 140.053944 132.6
[M+NH4]+ 159.095043 152.4
[M+K]+ 180.024378 135.0
[M+H-H2O]+ 124.058480 123.6
[M+HCOO]- 186.059421 148.5
[M+CH3COO]- 200.075071 175.4
[M+Na-2H]- 162.035886 129.6
[M]+ 141.06067142 128.8
[M]- 141.06176858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe