CID 2756560

1-(2-aminothiophen-3-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC(C)(C)C(=O)C1=C(SC=C1)N
InChI
InChI=1S/C9H13NOS/c1-9(2,3)7(11)6-4-5-12-8(6)10/h4-5H,10H2,1-3H3
InChIKey
DDWJLNLMGDGIEI-UHFFFAOYSA-N
Compound name
1-(2-aminothiophen-3-yl)-2,2-dimethylpropan-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 141.0
[M+Na]+ 206.06102 149.2
[M-H]- 182.06452 144.9
[M+NH4]+ 201.10562 163.1
[M+K]+ 222.03496 146.9
[M+H-H2O]+ 166.06906 136.1
[M+HCOO]- 228.07000 159.2
[M+CH3COO]- 242.08565 182.1
[M+Na-2H]- 204.04647 141.8
[M]+ 183.07125 142.1
[M]- 183.07235 142.1
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.