CID 14788189

1215839-34-1

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=CC=C(S1)CCN
InChI
InChI=1S/C7H11NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3
InChIKey
VAYWLNRNWZOIAG-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

141.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.8
[M+Na]+ 164.050438 136.6
[M-H]- 140.053944 131.6
[M+NH4]+ 159.095043 151.7
[M+K]+ 180.024378 134.1
[M+H-H2O]+ 124.058480 122.7
[M+HCOO]- 186.059421 148.8
[M+CH3COO]- 200.075071 174.5
[M+Na-2H]- 162.035886 129.9
[M]+ 141.06067142 128.6
[M]- 141.06176858 128.6
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