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

1
Patents

199.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 145.1
[M+Na]+ 222.05592 151.7
[M-H]- 198.05942 147.5
[M+NH4]+ 217.10052 165.6
[M+K]+ 238.02986 149.3
[M+H-H2O]+ 182.06396 139.9
[M+HCOO]- 244.06490 162.6
[M+CH3COO]- 258.08055 181.0
[M+Na-2H]- 220.04137 147.2
[M]+ 199.06615 146.2
[M]- 199.06725 146.2
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

No patent data available for this compound.