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]+ 226.126006 154.8
[M+Na]+ 248.107948 160.5
[M-H]- 224.111454 159.5
[M+NH4]+ 243.152553 175.6
[M+K]+ 264.081888 158.8
[M+H-H2O]+ 208.115990 148.1
[M+HCOO]- 270.116931 174.6
[M+CH3COO]- 284.132581 194.5
[M+Na-2H]- 246.093396 154.2
[M]+ 225.11818142 159.4
[M]- 225.11927858 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.