CID 474824

[[(2s)-2-dodecoxy-3-octadecoxy-propoxy]-hydroxy-phosphoryl]formic acid

Structural Information

Molecular Formula
C34H69O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(C(=O)O)O)OCCCCCCCCCCCC
InChI
InChI=1S/C34H69O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-39-31-33(32-41-42(37,38)34(35)36)40-30-28-26-24-22-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36)(H,37,38)/t33-/m0/s1
InChIKey
QRNCGTHFLURSLR-XIFFEERXSA-N
Compound name
[[(2S)-2-dodecoxy-3-octadecoxypropoxy]-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

620.4781 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.48538 256.5
[M+Na]+ 643.46732 257.1
[M-H]- 619.47082 243.4
[M+NH4]+ 638.51192 257.6
[M+K]+ 659.44126 258.2
[M+H-H2O]+ 603.47536 246.5
[M+HCOO]- 665.47630 260.4
[M+CH3COO]- 679.49195 264.6
[M+Na-2H]- 641.45277 236.2
[M]+ 620.47755 254.3
[M]- 620.47865 254.3
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

No patent data available for this compound.