CID 102154

Usaf b-61

Structural Information

Molecular Formula

C₅H₁₃N₃S

SMILES

CCN=C(N)SCCN

InChI

InChI=1S/C5H13N3S/c1-2-8-5(7)9-4-3-6/h2-4,6H2,1H3,(H2,7,8)

InChIKey

HPJFNJNFIMWCJS-UHFFFAOYSA-N

Compound name

2-aminoethyl N'-ethylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08302 Da
Monoisotopic Mass: -0.4
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]+	148.09030	131.0
[M+Na]+	170.07224	136.6
[M-H]-	146.07574	131.6
[M+NH4]+	165.11684	152.0
[M+K]+	186.04618	135.1
[M+H-H2O]+	130.08028	124.7
[M+HCOO]-	192.08122	151.6
[M+CH3COO]-	206.09687	182.5
[M+Na-2H]-	168.05769	133.0
[M]+	147.08247	129.7
[M]-	147.08357	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.