CID 13188564

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

Structural Information

Molecular Formula
C7H11NS
SMILES
CC(CC1=CSC=C1)N
InChI
InChI=1S/C7H11NS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3
InChIKey
RTEQDZAVAQTCOK-UHFFFAOYSA-N
Compound name
1-thiophen-3-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

141.06122 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 129.1
[M+Na]+ 164.05044 138.9
[M+NH4]+ 159.09504 138.9
[M+K]+ 180.02438 132.9
[M-H]- 140.05394 131.7
[M+Na-2H]- 162.03589 134.3
[M]+ 141.06067 131.6
[M]- 141.06177 131.6
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