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

12
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

patents stripe