CID 9546680

Pc(0:0/3:1(2e))

Structural Information

Molecular Formula
C11H23NO7P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)C=C
InChI
InChI=1S/C11H22NO7P/c1-5-11(14)19-10(8-13)9-18-20(15,16)17-7-6-12(2,3)4/h5,10,13H,1,6-9H2,2-4H3/p+1/t10-/m1/s1
InChIKey
SMXIWOJKKJRNEB-SNVBAGLBSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12122 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12850 174.7
[M+Na]+ 335.11044 181.0
[M-H]- 311.11394 176.8
[M+NH4]+ 330.15504 179.2
[M+K]+ 351.08438 170.9
[M+H-H2O]+ 295.11848 163.7
[M+HCOO]- 357.11942 192.6
[M+CH3COO]- 371.13507 196.9
[M+Na-2H]- 333.09589 173.2
[M]+ 312.12067 172.5
[M]- 312.12177 172.5
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.