CID 65355236

1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC1=CC(=C(S1)N)C(=O)C(C)C
InChI
InChI=1S/C9H13NOS/c1-5(2)8(11)7-4-6(3)12-9(7)10/h4-5H,10H2,1-3H3
InChIKey
FPHYKADNQPQEDQ-UHFFFAOYSA-N
Compound name
1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0718 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 141.4
[M+Na]+ 206.06102 150.6
[M+NH4]+ 201.10562 149.8
[M+K]+ 222.03496 145.8
[M-H]- 182.06452 143.0
[M+Na-2H]- 204.04647 144.7
[M]+ 183.07125 143.4
[M]- 183.07235 143.4
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.