CID 208061

31634-14-7

Structural Information

Molecular Formula
C12H19NOS
SMILES
CCN(CC)CCCC(=O)C1=CSC=C1
InChI
InChI=1S/C12H19NOS/c1-3-13(4-2)8-5-6-12(14)11-7-9-15-10-11/h7,9-10H,3-6,8H2,1-2H3
InChIKey
JJVJFUOWAXAJBD-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 154.8
[M+Na]+ 248.10795 160.5
[M-H]- 224.11145 159.5
[M+NH4]+ 243.15255 175.6
[M+K]+ 264.08189 158.8
[M+H-H2O]+ 208.11599 148.1
[M+HCOO]- 270.11693 174.6
[M+CH3COO]- 284.13258 194.5
[M+Na-2H]- 246.09340 154.2
[M]+ 225.11818 159.4
[M]- 225.11928 159.4
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

No patent data available for this compound.