CID 3072334

1-butanone, 4-((2-hydroxyethyl)amino)-1-(2-thienyl)-

Structural Information

Molecular Formula
C10H15NO2S
SMILES
C1=CSC(=C1)C(=O)CCCNCCO
InChI
InChI=1S/C10H15NO2S/c12-7-6-11-5-1-3-9(13)10-4-2-8-14-10/h2,4,8,11-12H,1,3,5-7H2
InChIKey
XTUROKYLQLGFAQ-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 148.4
[M+Na]+ 236.07157 154.1
[M-H]- 212.07507 150.3
[M+NH4]+ 231.11617 168.2
[M+K]+ 252.04551 151.0
[M+H-H2O]+ 196.07961 142.3
[M+HCOO]- 258.08055 167.1
[M+CH3COO]- 272.09620 184.4
[M+Na-2H]- 234.05702 149.2
[M]+ 213.08180 150.4
[M]- 213.08290 150.4
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.