CID 61927785

1803593-45-4

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CC(CSC)(C#N)N

InChI

InChI=1S/C5H10N2S/c1-5(7,3-6)4-8-2/h4,7H2,1-2H3

InChIKey

AZWPTLGTGVMWRE-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-3-methylsulfanylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	131.5
[M+Na]+	153.045688	140.5
[M-H]-	129.049194	132.9
[M+NH4]+	148.090293	151.7
[M+K]+	169.019628	140.1
[M+H-H2O]+	113.053730	120.6
[M+HCOO]-	175.054671	145.9
[M+CH3COO]-	189.070321	186.7
[M+Na-2H]-	151.031136	135.1
[M]+	130.05592142	127.2
[M]-	130.05701858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe