CID 129200

120578-22-5

Structural Information

Molecular Formula
C17H36NO7P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)/t16-/m1/s1
InChIKey
IZDRGPDUDLWAGR-MRXNPFEDSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

397.22293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23021 198.8
[M+Na]+ 420.21215 203.5
[M-H]- 396.21565 194.3
[M+NH4]+ 415.25675 198.6
[M+K]+ 436.18609 196.1
[M+H-H2O]+ 380.22019 189.4
[M+HCOO]- 442.22113 207.0
[M+CH3COO]- 456.23678 220.3
[M+Na-2H]- 418.19760 185.6
[M]+ 397.22238 193.6
[M]- 397.22348 193.6
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