CID 85990830

Dtxsid601021855

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.35526 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.362536 210.2
[M+Na]+ 411.344478 209.0
[M-H]- 387.347984 205.8
[M+NH4]+ 406.389083 213.4
[M+K]+ 427.318418 206.9
[M+H-H2O]+ 371.352520 202.3
[M+HCOO]- 433.353461 217.6
[M+CH3COO]- 447.369111 225.3
[M+Na-2H]- 409.329926 203.9
[M]+ 388.35471142 219.8
[M]- 388.35580858 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

No patent data available for this compound.