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

39
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 129.2
[M+Na]+ 164.05044 136.7
[M-H]- 140.05394 132.7
[M+NH4]+ 159.09504 152.7
[M+K]+ 180.02438 134.7
[M+H-H2O]+ 124.05848 123.8
[M+HCOO]- 186.05942 149.1
[M+CH3COO]- 200.07507 174.3
[M+Na-2H]- 162.03589 130.8
[M]+ 141.06067 129.0
[M]- 141.06177 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