CID 46781369

1119449-37-4

Structural Information

Molecular Formula
C17H28O2
SMILES
CCC(C)(CCC(C)C)C1=CC=C(C=C1)OCCO
InChI
InChI=1S/C17H28O2/c1-5-17(4,11-10-14(2)3)15-6-8-16(9-7-15)19-13-12-18/h6-9,14,18H,5,10-13H2,1-4H3
InChIKey
QRFCMJANHDRHEH-UHFFFAOYSA-N
Compound name
2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 167.5
[M+Na]+ 287.198138 172.2
[M-H]- 263.201644 169.0
[M+NH4]+ 282.242743 183.8
[M+K]+ 303.172078 169.4
[M+H-H2O]+ 247.206180 161.4
[M+HCOO]- 309.207121 185.8
[M+CH3COO]- 323.222771 199.2
[M+Na-2H]- 285.183586 169.7
[M]+ 264.20837142 170.7
[M]- 264.20946858 170.7
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.