CID 217628

(2-amidinothioethyl) ethylphosphate

Structural Information

Molecular Formula
C5H13N2O4PS
SMILES
CCOP(=O)(O)OCCSC(=N)N
InChI
InChI=1S/C5H13N2O4PS/c1-2-10-12(8,9)11-3-4-13-5(6)7/h2-4H2,1H3,(H3,6,7)(H,8,9)
InChIKey
XCBIEFSRDPVOJD-UHFFFAOYSA-N
Compound name
2-[ethoxy(hydroxy)phosphoryl]oxyethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03337 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04065 148.5
[M+Na]+ 251.02259 152.7
[M+NH4]+ 246.06719 152.8
[M+K]+ 266.99653 149.5
[M-H]- 227.02609 145.0
[M+Na-2H]- 249.00804 147.8
[M]+ 228.03282 147.7
[M]- 228.03392 147.7
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.