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 175.9
[M+Na]+ 317.20870 179.0
[M-H]- 293.21220 175.2
[M+NH4]+ 312.25330 189.9
[M+K]+ 333.18264 175.2
[M+H-H2O]+ 277.21674 168.7
[M+HCOO]- 339.21768 194.0
[M+CH3COO]- 353.23333 201.2
[M+Na-2H]- 315.19415 176.2
[M]+ 294.21893 179.3
[M]- 294.22003 179.3
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