CID 11963565

(r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate

Structural Information

Molecular Formula
C9H17O8P
SMILES
CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O
InChI
InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKey
JDTMNMAQWVSSOO-MRVPVSSYSA-N
Compound name
[(2R)-2-formyloxy-3-phosphonooxypropyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.0661 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07338 161.0
[M+Na]+ 307.05532 165.7
[M-H]- 283.05882 156.8
[M+NH4]+ 302.09992 169.4
[M+K]+ 323.02926 166.6
[M+H-H2O]+ 267.06336 153.4
[M+HCOO]- 329.06430 181.2
[M+CH3COO]- 343.07995 193.1
[M+Na-2H]- 305.04077 161.5
[M]+ 284.06555 168.8
[M]- 284.06665 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe