CID 6484133

30433-93-3

Structural Information

Molecular Formula
C7H11NS
SMILES
CC(CC1=CC=CS1)N
InChI
InChI=1S/C7H11NS/c1-6(8)5-7-3-2-4-9-7/h2-4,6H,5,8H2,1H3
InChIKey
NYVQQTOGYLBBDQ-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

157
Patents

141.06122 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe