CID 3079839

3-oxazolidinecarbodithioic acid, 2-methyl-, methyl ester

Structural Information

Molecular Formula
C6H11NOS2
SMILES
CC1N(CCO1)C(=S)SC
InChI
InChI=1S/C6H11NOS2/c1-5-7(3-4-8-5)6(9)10-2/h5H,3-4H2,1-2H3
InChIKey
BGSKXIXWORPJAL-UHFFFAOYSA-N
Compound name
methyl 2-methyl-1,3-oxazolidine-3-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02821 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.035486 135.2
[M+Na]+ 200.017428 143.7
[M-H]- 176.020934 138.3
[M+NH4]+ 195.062033 155.7
[M+K]+ 215.991368 142.4
[M+H-H2O]+ 160.025470 130.3
[M+HCOO]- 222.026411 145.2
[M+CH3COO]- 236.042061 176.4
[M+Na-2H]- 198.002876 133.8
[M]+ 177.02766142 136.5
[M]- 177.02875858 136.5
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.