CID 102437282

1643880-05-0

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChI
InChI=1S/C19H32O3/c1-4-5-6-7-12-19(2,3)17-8-10-18(11-9-17)22-16-15-21-14-13-20/h8-11,20H,4-7,12-16H2,1-3H3
InChIKey
QBJGHRMRNHNIKU-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 180.0
[M+Na]+ 331.22436 183.9
[M-H]- 307.22786 180.8
[M+NH4]+ 326.26896 194.4
[M+K]+ 347.19830 180.7
[M+H-H2O]+ 291.23240 172.9
[M+HCOO]- 353.23334 198.7
[M+CH3COO]- 367.24899 206.3
[M+Na-2H]- 329.20981 182.4
[M]+ 308.23459 185.9
[M]- 308.23569 185.9
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.