CID 40835

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

Structural Information

Molecular Formula
C7H11NS
SMILES
C1=CSC(=C1)CCCN
InChI
InChI=1S/C7H11NS/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5,8H2
InChIKey
CUGBKQGQESIBMN-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

141.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 128.1
[M+Na]+ 164.050438 136.0
[M-H]- 140.053944 131.6
[M+NH4]+ 159.095043 151.7
[M+K]+ 180.024378 133.5
[M+H-H2O]+ 124.058480 122.7
[M+HCOO]- 186.059421 149.1
[M+CH3COO]- 200.075071 173.5
[M+Na-2H]- 162.035886 130.9
[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

No literature data available for this compound.

Patent stripe

patents stripe