CID 3075361

178408-13-4

Structural Information

Molecular Formula
C10H17NO2S2
SMILES
CCSC(=S)NC(=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C10H17NO2S2/c1-5-15-9(14)11-8(13)6-7(12)10(2,3)4/h5-6H2,1-4H3,(H,11,13,14)
InChIKey
ZNCDQJGYVKCPMX-UHFFFAOYSA-N
Compound name
ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07007 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07735 160.5
[M+Na]+ 270.05929 166.2
[M+NH4]+ 265.10389 166.5
[M+K]+ 286.03323 159.4
[M-H]- 246.06279 158.4
[M+Na-2H]- 268.04474 160.0
[M]+ 247.06952 161.3
[M]- 247.07062 161.3
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.