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

0
Patents

130.05647 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06375 131.5
[M+Na]+ 153.04569 140.5
[M-H]- 129.04919 132.9
[M+NH4]+ 148.09029 151.7
[M+K]+ 169.01963 140.1
[M+H-H2O]+ 113.05373 120.6
[M+HCOO]- 175.05467 145.9
[M+CH3COO]- 189.07032 186.7
[M+Na-2H]- 151.03114 135.1
[M]+ 130.05592 127.2
[M]- 130.05702 127.2
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.