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 156.7
[M+Na]+ 270.05929 161.2
[M-H]- 246.06279 156.1
[M+NH4]+ 265.10389 174.0
[M+K]+ 286.03323 157.9
[M+H-H2O]+ 230.06733 150.8
[M+HCOO]- 292.06827 164.9
[M+CH3COO]- 306.08392 193.8
[M+Na-2H]- 268.04474 154.2
[M]+ 247.06952 159.2
[M]- 247.07062 159.2
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.