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]+ 214.089626 148.4
[M+Na]+ 236.071568 154.1
[M-H]- 212.075074 150.3
[M+NH4]+ 231.116173 168.2
[M+K]+ 252.045508 151.0
[M+H-H2O]+ 196.079610 142.3
[M+HCOO]- 258.080551 167.1
[M+CH3COO]- 272.096201 184.4
[M+Na-2H]- 234.057016 149.2
[M]+ 213.08180142 150.4
[M]- 213.08289858 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.