CID 57508485

Dipropylene glycol caprylate

Structural Information

Molecular Formula
C14H28O4
SMILES
CCCCCCCC(=O)OC(C)COCC(C)O
InChI
InChI=1S/C14H28O4/c1-4-5-6-7-8-9-14(16)18-13(3)11-17-10-12(2)15/h12-13,15H,4-11H2,1-3H3
InChIKey
RUJTUWZNNMUXPP-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropoxy)propan-2-yl octanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

260.19876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20604 167.9
[M+Na]+ 283.18798 171.0
[M-H]- 259.19148 165.5
[M+NH4]+ 278.23258 183.9
[M+K]+ 299.16192 170.5
[M+H-H2O]+ 243.19602 161.9
[M+HCOO]- 305.19696 185.7
[M+CH3COO]- 319.21261 197.4
[M+Na-2H]- 281.17343 166.4
[M]+ 260.19821 173.4
[M]- 260.19931 173.4
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