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

196
Patents

141.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.1
[M+Na]+ 164.05044 136.0
[M-H]- 140.05394 131.6
[M+NH4]+ 159.09504 151.7
[M+K]+ 180.02438 133.5
[M+H-H2O]+ 124.05848 122.7
[M+HCOO]- 186.05942 149.1
[M+CH3COO]- 200.07507 173.5
[M+Na-2H]- 162.03589 130.9
[M]+ 141.06067 128.6
[M]- 141.06177 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