CID 53117

74789-26-7

Structural Information

Molecular Formula
C10H21O4PS2
SMILES
CCOP(=O)(C)SCSCC(=O)OCC(C)C
InChI
InChI=1S/C10H21O4PS2/c1-5-14-15(4,12)17-8-16-7-10(11)13-6-9(2)3/h9H,5-8H2,1-4H3
InChIKey
GHJWTYNHMYSYQS-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06918 165.0
[M+Na]+ 323.05112 169.3
[M-H]- 299.05462 163.2
[M+NH4]+ 318.09572 181.0
[M+K]+ 339.02506 167.2
[M+H-H2O]+ 283.05916 156.3
[M+HCOO]- 345.06010 179.8
[M+CH3COO]- 359.07575 201.7
[M+Na-2H]- 321.03657 160.8
[M]+ 300.06135 173.8
[M]- 300.06245 173.8
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.