CID 3047506

Usaf b-56

Structural Information

Molecular Formula

C₅H₁₁N₃OS

SMILES

CC(=O)N=C(N)SCCN

InChI

InChI=1S/C5H11N3OS/c1-4(9)8-5(7)10-3-2-6/h2-3,6H2,1H3,(H2,7,8,9)

InChIKey

KIUCLCYQTDFOTO-UHFFFAOYSA-N

Compound name

2-aminoethyl N'-acetylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.06229 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.06957	135.2
[M+Na]+	184.05151	141.2
[M+NH4]+	179.09611	142.1
[M+K]+	200.02545	135.9
[M-H]-	160.05501	135.4
[M+Na-2H]-	182.03696	137.0
[M]+	161.06174	136.0
[M]-	161.06284	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.