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

42
Patents

183.0718 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 141.7
[M+Na]+ 206.06102 149.0
[M-H]- 182.06452 145.7
[M+NH4]+ 201.10562 163.8
[M+K]+ 222.03496 147.2
[M+H-H2O]+ 166.06906 136.5
[M+HCOO]- 228.07000 160.5
[M+CH3COO]- 242.08565 180.9
[M+Na-2H]- 204.04647 144.1
[M]+ 183.07125 143.3
[M]- 183.07235 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