CID 121494098

Ppg-2 myristyl ether propionate

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCOCC(C)OCC(C)OC(=O)CC
InChI
InChI=1S/C23H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21(3)26-20-22(4)27-23(24)6-2/h21-22H,5-20H2,1-4H3
InChIKey
USZDQUQLJBLEDN-UHFFFAOYSA-N
Compound name
1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1348
Patents

386.3396 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 208.5
[M+Na]+ 409.32882 208.2
[M-H]- 385.33232 205.7
[M+NH4]+ 404.37342 214.0
[M+K]+ 425.30276 206.4
[M+H-H2O]+ 369.33686 200.6
[M+HCOO]- 431.33780 218.2
[M+CH3COO]- 445.35345 226.4
[M+Na-2H]- 407.31427 202.8
[M]+ 386.33905 219.3
[M]- 386.34015 219.3
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

patents stripe