CID 51673

72720-12-8

Structural Information

Molecular Formula
C10H21O4PS2
SMILES
CCCCCOP(=O)(C)SCSCC(=O)OC
InChI
InChI=1S/C10H21O4PS2/c1-4-5-6-7-14-15(3,12)17-9-16-8-10(11)13-2/h4-9H2,1-3H3
InChIKey
XNQHFBHLSFWHSI-UHFFFAOYSA-N
Compound name
methyl 2-[[methyl(pentoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0619 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06918 165.1
[M+Na]+ 323.05112 169.8
[M-H]- 299.05462 163.3
[M+NH4]+ 318.09572 181.3
[M+K]+ 339.02506 167.1
[M+H-H2O]+ 283.05916 156.3
[M+HCOO]- 345.06010 181.0
[M+CH3COO]- 359.07575 201.0
[M+Na-2H]- 321.03657 161.8
[M]+ 300.06135 174.5
[M]- 300.06245 174.5
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.