CID 20772539

2,2-dimethyl-1-(thiophen-2-yl)propan-1-amine

Structural Information

Molecular Formula
C9H15NS
SMILES
CC(C)(C)C(C1=CC=CS1)N
InChI
InChI=1S/C9H15NS/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKey
VIDGALYHKGLIBL-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

169.09251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 138.9
[M+Na]+ 192.081728 146.1
[M-H]- 168.085234 142.4
[M+NH4]+ 187.126333 161.5
[M+K]+ 208.055668 144.0
[M+H-H2O]+ 152.089770 133.8
[M+HCOO]- 214.090711 156.7
[M+CH3COO]- 228.106361 179.9
[M+Na-2H]- 190.067176 140.2
[M]+ 169.09196142 138.9
[M]- 169.09305858 138.9
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