CID 32044

Brn 2391505

Structural Information

Molecular Formula
C11H22NO5PS2
SMILES
CCC(C)(C(=O)O)NC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C11H22NO5PS2/c1-5-11(4,10(14)15)12-9(13)8-20-18(19,16-6-2)17-7-3/h5-8H2,1-4H3,(H,12,13)(H,14,15)
InChIKey
KTXURXGAKPHLAH-UHFFFAOYSA-N
Compound name
2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

343.0677 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07498 175.7
[M+Na]+ 366.05692 178.1
[M-H]- 342.06042 171.9
[M+NH4]+ 361.10152 188.5
[M+K]+ 382.03086 175.1
[M+H-H2O]+ 326.06496 166.7
[M+HCOO]- 388.06590 188.4
[M+CH3COO]- 402.08155 208.5
[M+Na-2H]- 364.04237 173.2
[M]+ 343.06715 181.9
[M]- 343.06825 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.