CID 208057

31634-12-5

Structural Information

Molecular Formula
C11H17NOS
SMILES
CC(C)CNC(C)C(=O)C1=CSC=C1
InChI
InChI=1S/C11H17NOS/c1-8(2)6-12-9(3)11(13)10-4-5-14-7-10/h4-5,7-9,12H,6H2,1-3H3
InChIKey
VTHLVTJVFHHMNA-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)-1-thiophen-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10309 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11037 150.1
[M+Na]+ 234.09231 158.1
[M+NH4]+ 229.13691 158.2
[M+K]+ 250.06625 153.0
[M-H]- 210.09581 151.5
[M+Na-2H]- 232.07776 153.6
[M]+ 211.10254 151.8
[M]- 211.10364 151.8
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.