CID 408257

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C9H13NOS
SMILES
CN(C)CCC(=O)C1=CC=CS1
InChI
InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3
InChIKey
JNMZUWJMJSKMON-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

317
Patents

183.0718 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 141.2
[M+Na]+ 206.061018 148.1
[M-H]- 182.064524 146.4
[M+NH4]+ 201.105623 163.7
[M+K]+ 222.034958 147.2
[M+H-H2O]+ 166.069060 135.1
[M+HCOO]- 228.070001 161.9
[M+CH3COO]- 242.085651 185.6
[M+Na-2H]- 204.046466 142.1
[M]+ 183.07125142 144.7
[M]- 183.07234858 144.7
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