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]+ 184.079076 141.0
[M+Na]+ 206.061018 149.2
[M-H]- 182.064524 144.9
[M+NH4]+ 201.105623 163.1
[M+K]+ 222.034958 146.9
[M+H-H2O]+ 166.069060 136.1
[M+HCOO]- 228.070001 159.2
[M+CH3COO]- 242.085651 182.1
[M+Na-2H]- 204.046466 141.8
[M]+ 183.07125142 142.1
[M]- 183.07234858 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

literature stripe

Patent stripe

No patent data available for this compound.