CID 10219444

2-amino-4-methylthiobutanenitrile

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CSCCC(C#N)N

InChI

InChI=1S/C5H10N2S/c1-8-3-2-5(7)4-6/h5H,2-3,7H2,1H3

InChIKey

MWLKEJXYXYRWIH-UHFFFAOYSA-N

Compound name

2-amino-4-methylsulfanylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 331
Patents: 130.05647 Da
Monoisotopic Mass: 0.1
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]+	131.063746	128.8
[M+Na]+	153.045688	137.2
[M-H]-	129.049194	129.9
[M+NH4]+	148.090293	148.8
[M+K]+	169.019628	136.7
[M+H-H2O]+	113.053730	117.4
[M+HCOO]-	175.054671	143.6
[M+CH3COO]-	189.070321	187.2
[M+Na-2H]-	151.031136	131.0
[M]+	130.05592142	124.4
[M]-	130.05701858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe