CID 199735

Hc 8210

Structural Information

Molecular Formula
C8H20NOPS3
SMILES
CCN(CC)CCSP(=O)(SC)SC
InChI
InChI=1S/C8H20NOPS3/c1-5-9(6-2)7-8-14-11(10,12-3)13-4/h5-8H2,1-4H3
InChIKey
SRGBSOJAEDWAIC-UHFFFAOYSA-N
Compound name
2-bis(methylsulfanyl)phosphorylsulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.04446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05174 154.0
[M+Na]+ 296.03368 158.7
[M-H]- 272.03718 153.0
[M+NH4]+ 291.07828 171.2
[M+K]+ 312.00762 154.2
[M+H-H2O]+ 256.04172 144.4
[M+HCOO]- 318.04266 165.5
[M+CH3COO]- 332.05831 203.5
[M+Na-2H]- 294.01913 150.6
[M]+ 273.04391 158.7
[M]- 273.04501 158.7
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.