CID 149495120

4-(5-ethyloxan-2-yl)phenol

Structural Information

Molecular Formula
C13H18O2
SMILES
CCC1CCC(OC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H18O2/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h4-7,10,13-14H,2-3,8-9H2,1H3
InChIKey
ZFWGBVRQIHJYQX-UHFFFAOYSA-N
Compound name
4-(5-ethyloxan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.5
[M+Na]+ 229.119898 152.0
[M-H]- 205.123404 152.0
[M+NH4]+ 224.164503 163.5
[M+K]+ 245.093838 150.2
[M+H-H2O]+ 189.127940 139.9
[M+HCOO]- 251.128881 165.0
[M+CH3COO]- 265.144531 183.7
[M+Na-2H]- 227.105346 151.2
[M]+ 206.13013142 143.4
[M]- 206.13122858 143.4
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.