CID 4322464

2-(thiophen-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H11NS
SMILES
CC(CN)C1=CC=CS1
InChI
InChI=1S/C7H11NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,5,8H2,1H3
InChIKey
FWRBHKLKOBUBEQ-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 129.2
[M+Na]+ 164.050438 136.7
[M-H]- 140.053944 132.7
[M+NH4]+ 159.095043 152.7
[M+K]+ 180.024378 134.7
[M+H-H2O]+ 124.058480 123.8
[M+HCOO]- 186.059421 149.1
[M+CH3COO]- 200.075071 174.3
[M+Na-2H]- 162.035886 130.8
[M]+ 141.06067142 129.0
[M]- 141.06176858 129.0
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