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]+ 265.21620 167.5
[M+Na]+ 287.19814 172.2
[M-H]- 263.20164 169.0
[M+NH4]+ 282.24274 183.8
[M+K]+ 303.17208 169.4
[M+H-H2O]+ 247.20618 161.4
[M+HCOO]- 309.20712 185.8
[M+CH3COO]- 323.22277 199.2
[M+Na-2H]- 285.18359 169.7
[M]+ 264.20837 170.7
[M]- 264.20947 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.