CID 382480

Nsc670086

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC(C)(CO)NC(=O)C1=CC=CS1

InChI

InChI=1S/C9H13NO2S/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h3-5,11H,6H2,1-2H3,(H,10,12)

InChIKey

HZZPXTGUJSITKM-UHFFFAOYSA-N

Compound name

N-(1-hydroxy-2-methylpropan-2-yl)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.0667 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.073976	145.1
[M+Na]+	222.055918	151.7
[M-H]-	198.059424	147.5
[M+NH4]+	217.100523	165.6
[M+K]+	238.029858	149.3
[M+H-H2O]+	182.063960	139.9
[M+HCOO]-	244.064901	162.6
[M+CH3COO]-	258.080551	181.0
[M+Na-2H]-	220.041366	147.2
[M]+	199.06615142	146.2
[M]-	199.06724858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe