CID 10035873

645411-16-1

Structural Information

Molecular Formula
C8H11NOS
SMILES
CNCCC(=O)C1=CC=CS1
InChI
InChI=1S/C8H11NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6,9H,4-5H2,1H3
InChIKey
SCZYZJNFEJZSAQ-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

169.05614 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 136.2
[M+Na]+ 192.04536 143.4
[M-H]- 168.04886 140.0
[M+NH4]+ 187.08996 158.6
[M+K]+ 208.01930 141.3
[M+H-H2O]+ 152.05340 130.4
[M+HCOO]- 214.05434 156.8
[M+CH3COO]- 228.06999 179.0
[M+Na-2H]- 190.03081 138.3
[M]+ 169.05559 138.0
[M]- 169.05669 138.0
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