CID 167829

19683-83-1

Structural Information

Molecular Formula
C11H22NO5PS2
SMILES
CCOP(=S)(OCC)SCC(=O)N[C@@H](C(C)C)C(=O)O
InChI
InChI=1S/C11H22NO5PS2/c1-5-16-18(19,17-6-2)20-7-9(13)12-10(8(3)4)11(14)15/h8,10H,5-7H2,1-4H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
BAKCYWKIVVXZNA-JTQLQIEISA-N
Compound name
(2S)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07498 174.2
[M+Na]+ 366.05692 175.7
[M-H]- 342.06042 170.2
[M+NH4]+ 361.10152 186.7
[M+K]+ 382.03086 173.4
[M+H-H2O]+ 326.06496 165.0
[M+HCOO]- 388.06590 186.1
[M+CH3COO]- 402.08155 209.8
[M+Na-2H]- 364.04237 168.5
[M]+ 343.06715 179.9
[M]- 343.06825 179.9
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.