CID 3072336

Brn 4351659

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CN(CCCC(=O)C1=CC=CS1)CCO
InChI
InChI=1S/C11H17NO2S/c1-12(7-8-13)6-2-4-10(14)11-5-3-9-15-11/h3,5,9,13H,2,4,6-8H2,1H3
InChIKey
PZOZYCKECVFWJM-UHFFFAOYSA-N
Compound name
4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.098 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.105276 153.7
[M+Na]+ 250.087218 159.2
[M-H]- 226.090724 157.0
[M+NH4]+ 245.131823 173.6
[M+K]+ 266.061158 157.3
[M+H-H2O]+ 210.095260 147.3
[M+HCOO]- 272.096201 172.5
[M+CH3COO]- 286.111851 190.8
[M+Na-2H]- 248.072666 153.3
[M]+ 227.09745142 157.5
[M]- 227.09854858 157.5
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

No patent data available for this compound.