CID 193376

3355-26-8

Structural Information

Molecular Formula
C16H33NO8P
SMILES
CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC
InChI
InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/p+1/t14-/m1/s1
InChIKey
QIJYAMAPPUXBSC-CQSZACIVSA-O
Compound name
2-[[(2R)-2,3-di(butanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

241
Patents

398.19437 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20165 197.7
[M+Na]+ 421.18359 204.1
[M-H]- 397.18709 200.6
[M+NH4]+ 416.22819 206.6
[M+K]+ 437.15753 196.4
[M+H-H2O]+ 381.19163 186.1
[M+HCOO]- 443.19257 212.8
[M+CH3COO]- 457.20822 216.3
[M+Na-2H]- 419.16904 187.7
[M]+ 398.19382 196.6
[M]- 398.19492 196.6
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