CID 101160

1-p-nonylphenyl glycerol ether

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCC(CO)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-16-10-12-18(13-11-16)21-15-17(20)14-19/h10-13,17,19-20H,2-9,14-15H2,1H3
InChIKey
IHMSRKRQXGKFCB-UHFFFAOYSA-N
Compound name
3-(4-nonylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

294.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 175.0
[M+Na]+ 317.20870 184.6
[M+NH4]+ 312.25330 181.1
[M+K]+ 333.18264 177.6
[M-H]- 293.21220 175.3
[M+Na-2H]- 315.19415 178.2
[M]+ 294.21893 176.2
[M]- 294.22003 176.2
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