CID 19370005

Ppg-3 myristyl ether

Structural Information

Molecular Formula
C23H48O4
SMILES
CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-22(3)27-20-23(4)26-18-21(2)24/h21-24H,5-20H2,1-4H3
InChIKey
JKHBSEMWNFTGPM-UHFFFAOYSA-N
Compound name
1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

244
Patents

388.35526 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.36254 210.2
[M+Na]+ 411.34448 209.0
[M-H]- 387.34798 205.8
[M+NH4]+ 406.38908 213.4
[M+K]+ 427.31842 206.9
[M+H-H2O]+ 371.35252 202.3
[M+HCOO]- 433.35346 217.6
[M+CH3COO]- 447.36911 225.3
[M+Na-2H]- 409.32993 203.9
[M]+ 388.35471 219.8
[M]- 388.35581 219.8
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