CID 85548950

114019-01-1

Structural Information

Molecular Formula
C6H11NO2S
SMILES
CC(C)(C(=S)N)C(=O)OC
InChI
InChI=1S/C6H11NO2S/c1-6(2,4(7)10)5(8)9-3/h1-3H3,(H2,7,10)
InChIKey
MWIPUIVPAYBEOF-UHFFFAOYSA-N
Compound name
methyl 3-amino-2,2-dimethyl-3-sulfanylidenepropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.058336 134.2
[M+Na]+ 184.040278 140.9
[M-H]- 160.043784 134.3
[M+NH4]+ 179.084883 154.9
[M+K]+ 200.014218 140.0
[M+H-H2O]+ 144.048320 129.5
[M+HCOO]- 206.049261 150.1
[M+CH3COO]- 220.064911 178.5
[M+Na-2H]- 182.025726 135.4
[M]+ 161.05051142 135.3
[M]- 161.05160858 135.3
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.