CID 216831

Brn 1794925

Structural Information

Molecular Formula
C9H20NO3PS2
SMILES
CC(C)OP(=S)(OC(C)C)SCC(=O)NC
InChI
InChI=1S/C9H20NO3PS2/c1-7(2)12-14(15,13-8(3)4)16-6-9(11)10-5/h7-8H,6H2,1-5H3,(H,10,11)
InChIKey
WVJOTNPJRHZNFB-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphinothioylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06223 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06951 161.0
[M+Na]+ 308.05145 164.6
[M-H]- 284.05495 159.2
[M+NH4]+ 303.09605 177.2
[M+K]+ 324.02539 162.5
[M+H-H2O]+ 268.05949 152.2
[M+HCOO]- 330.06043 175.5
[M+CH3COO]- 344.07608 202.4
[M+Na-2H]- 306.03690 156.5
[M]+ 285.06168 166.5
[M]- 285.06278 166.5
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.