CID 3056607

3-thiopheneacetamide, alpha-(1-methylethyl)-

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC(C)C(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C9H13NOS/c1-6(2)8(9(10)11)7-3-4-12-5-7/h3-6,8H,1-2H3,(H2,10,11)
InChIKey
NUQLOYWTPKFBFT-UHFFFAOYSA-N
Compound name
3-methyl-2-thiophen-3-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 142.3
[M+Na]+ 206.061018 148.4
[M-H]- 182.064524 145.6
[M+NH4]+ 201.105623 163.7
[M+K]+ 222.034958 146.8
[M+H-H2O]+ 166.069060 136.5
[M+HCOO]- 228.070001 159.8
[M+CH3COO]- 242.085651 183.1
[M+Na-2H]- 204.046466 140.6
[M]+ 183.07125142 142.3
[M]- 183.07234858 142.3
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

patents stripe