CID 28933320

(4-ethoxy-3,5-dimethylphenyl)methanol

Structural Information

Molecular Formula
C11H16O2
SMILES
CCOC1=C(C=C(C=C1C)CO)C
InChI
InChI=1S/C11H16O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-6,12H,4,7H2,1-3H3
InChIKey
UOOGLSVZYTVPBS-UHFFFAOYSA-N
Compound name
(4-ethoxy-3,5-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 138.3
[M+Na]+ 203.10426 147.2
[M-H]- 179.10776 141.3
[M+NH4]+ 198.14886 158.6
[M+K]+ 219.07820 145.1
[M+H-H2O]+ 163.11230 133.1
[M+HCOO]- 225.11324 161.2
[M+CH3COO]- 239.12889 182.2
[M+Na-2H]- 201.08971 142.9
[M]+ 180.11449 141.1
[M]- 180.11559 141.1
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

patents stripe