CID 139033530

Ppg-3 benzyl ether myristate

Structural Information

Molecular Formula
C30H52O5
SMILES
CCCCCCCCCCCCCC(=O)OCC(C)OCC(C)OCC(C)OCC1=CC=CC=C1
InChI
InChI=1S/C30H52O5/c1-5-6-7-8-9-10-11-12-13-14-18-21-30(31)35-24-28(4)33-22-26(2)32-23-27(3)34-25-29-19-16-15-17-20-29/h15-17,19-20,26-28H,5-14,18,21-25H2,1-4H3
InChIKey
LVDXDNDMOQYDMZ-UHFFFAOYSA-N
Compound name
2-[2-(2-phenylmethoxypropoxy)propoxy]propyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1109
Patents

492.38147 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.38875 235.7
[M+Na]+ 515.37069 232.9
[M-H]- 491.37419 235.2
[M+NH4]+ 510.41529 223.8
[M+K]+ 531.34463 230.2
[M+H-H2O]+ 475.37873 225.5
[M+HCOO]- 537.37967 250.3
[M+CH3COO]- 551.39532 244.7
[M+Na-2H]- 513.35614 227.8
[M]+ 492.38092 247.0
[M]- 492.38202 247.0
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