CID 175362

72987-43-0

Structural Information

Molecular Formula
C20H34O2
SMILES
CC(C)CC1=CC(=C(C(=C1)CC(C)C)OCCO)CC(C)C
InChI
InChI=1S/C20H34O2/c1-14(2)9-17-12-18(10-15(3)4)20(22-8-7-21)19(13-17)11-16(5)6/h12-16,21H,7-11H2,1-6H3
InChIKey
RAPHPTULHMOFBS-UHFFFAOYSA-N
Compound name
2-[2,4,6-tris(2-methylpropyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 180.1
[M+Na]+ 329.24512 184.3
[M-H]- 305.24862 181.5
[M+NH4]+ 324.28972 195.0
[M+K]+ 345.21906 181.5
[M+H-H2O]+ 289.25316 173.5
[M+HCOO]- 351.25410 196.9
[M+CH3COO]- 365.26975 211.9
[M+Na-2H]- 327.23057 176.1
[M]+ 306.25535 184.3
[M]- 306.25645 184.3
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

No patent data available for this compound.