CID 4324161

N-tert-butylthiophene-2-carboxamide

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

41
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 142.5
[M+Na]+ 206.06102 151.4
[M+NH4]+ 201.10562 151.0
[M+K]+ 222.03496 146.3
[M-H]- 182.06452 143.8
[M+Na-2H]- 204.04647 147.0
[M]+ 183.07125 144.5
[M]- 183.07235 144.5
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