CID 131002982

[(2-aminoethyl)imino](ethyl)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C5H14N2OS
SMILES
CCS(=NCCN)(=O)C
InChI
InChI=1S/C5H14N2OS/c1-3-9(2,8)7-5-4-6/h3-6H2,1-2H3
InChIKey
QFPMLBACGWDYHS-UHFFFAOYSA-N
Compound name
2-[(ethyl-methyl-oxo-lambda6-sulfanylidene)amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08269 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.089966 130.6
[M+Na]+ 173.071908 137.9
[M-H]- 149.075414 132.1
[M+NH4]+ 168.116513 152.4
[M+K]+ 189.045848 136.6
[M+H-H2O]+ 133.079950 125.3
[M+HCOO]- 195.080891 151.0
[M+CH3COO]- 209.096541 179.5
[M+Na-2H]- 171.057356 135.1
[M]+ 150.08214142 132.1
[M]- 150.08323858 132.1
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.