CID 5313575

Pc(2:0/2:0)

Structural Information

Molecular Formula
C12H25NO8P
SMILES
CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C12H24NO8P/c1-10(14)18-8-12(21-11(2)15)9-20-22(16,17)19-7-6-13(3,4)5/h12H,6-9H2,1-5H3/p+1/t12-/m1/s1
InChIKey
GAZIIOYXDWTTMC-GFCCVEGCSA-O
Compound name
2-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

342.13177 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13905 182.4
[M+Na]+ 365.12099 189.5
[M-H]- 341.12449 186.8
[M+NH4]+ 360.16559 191.4
[M+K]+ 381.09493 180.2
[M+H-H2O]+ 325.12903 171.3
[M+HCOO]- 387.12997 199.2
[M+CH3COO]- 401.14562 204.6
[M+Na-2H]- 363.10644 174.3
[M]+ 342.13122 181.6
[M]- 342.13232 181.6
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

patents stripe