CID 4324161

N-tert-butyl-2-thiophenecarboxamide

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC(C)(C)NC(=O)C1=CC=CS1
InChI
InChI=1S/C9H13NOS/c1-9(2,3)10-8(11)7-5-4-6-12-7/h4-6H,1-3H3,(H,10,11)
InChIKey
HWRDAEJCROHFNX-UHFFFAOYSA-N
Compound name
N-tert-butylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

183.0718 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 141.7
[M+Na]+ 206.061018 149.0
[M-H]- 182.064524 145.7
[M+NH4]+ 201.105623 163.8
[M+K]+ 222.034958 147.2
[M+H-H2O]+ 166.069060 136.5
[M+HCOO]- 228.070001 160.5
[M+CH3COO]- 242.085651 180.9
[M+Na-2H]- 204.046466 144.1
[M]+ 183.07125142 143.3
[M]- 183.07234858 143.3
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