CID 3061702

Ddtcp

Structural Information

Molecular Formula
C10H18N2O3S2
SMILES
CCN(CC)C(=S)SC(C)C(=O)NCC(=O)O
InChI
InChI=1S/C10H18N2O3S2/c1-4-12(5-2)10(16)17-7(3)9(15)11-6-8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKey
CSKUJBRPIRNLKC-UHFFFAOYSA-N
Compound name
2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.0759 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08318 164.0
[M+Na]+ 301.06512 167.4
[M+NH4]+ 296.10972 168.8
[M+K]+ 317.03906 162.2
[M-H]- 277.06862 161.7
[M+Na-2H]- 299.05057 162.7
[M]+ 278.07535 164.1
[M]- 278.07645 164.1
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

patents stripe