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]+ 170.09979 138.9
[M+Na]+ 192.08173 146.1
[M-H]- 168.08523 142.4
[M+NH4]+ 187.12633 161.5
[M+K]+ 208.05567 144.0
[M+H-H2O]+ 152.08977 133.8
[M+HCOO]- 214.09071 156.7
[M+CH3COO]- 228.10636 179.9
[M+Na-2H]- 190.06718 140.2
[M]+ 169.09196 138.9
[M]- 169.09306 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