CID 126103

Gamma-(2-aminoethylamino)-2-butryothienone

Structural Information

Molecular Formula
C10H16N2OS
SMILES
C1=CSC(=C1)C(=O)CCCNCCN
InChI
InChI=1S/C10H16N2OS/c11-5-7-12-6-1-3-9(13)10-4-2-8-14-10/h2,4,8,12H,1,3,5-7,11H2
InChIKey
HWQDMQDDTCAINI-UHFFFAOYSA-N
Compound name
4-(2-aminoethylamino)-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

212.09833 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 148.1
[M+Na]+ 235.08755 153.4
[M-H]- 211.09105 150.7
[M+NH4]+ 230.13215 168.0
[M+K]+ 251.06149 150.3
[M+H-H2O]+ 195.09559 141.3
[M+HCOO]- 257.09653 168.3
[M+CH3COO]- 271.11218 189.3
[M+Na-2H]- 233.07300 148.8
[M]+ 212.09778 148.8
[M]- 212.09888 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.