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]+ 307.263176 180.1
[M+Na]+ 329.245118 184.3
[M-H]- 305.248624 181.5
[M+NH4]+ 324.289723 195.0
[M+K]+ 345.219058 181.5
[M+H-H2O]+ 289.253160 173.5
[M+HCOO]- 351.254101 196.9
[M+CH3COO]- 365.269751 211.9
[M+Na-2H]- 327.230566 176.1
[M]+ 306.25535142 184.3
[M]- 306.25644858 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.