CID 3022587

5-methoxy-2-(2-methyl-1-propenyl)phenol

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(=CC1=C(C=C(C=C1)OC)O)C
InChI
InChI=1S/C11H14O2/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-7,12H,1-3H3
InChIKey
KUFHEKHXFPHIIQ-UHFFFAOYSA-N
Compound name
5-methoxy-2-(2-methylprop-1-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.9
[M+Na]+ 201.088598 146.0
[M-H]- 177.092104 140.6
[M+NH4]+ 196.133203 157.9
[M+K]+ 217.062538 143.7
[M+H-H2O]+ 161.096640 132.7
[M+HCOO]- 223.097581 160.0
[M+CH3COO]- 237.113231 180.3
[M+Na-2H]- 199.074046 142.0
[M]+ 178.09883142 138.9
[M]- 178.09992858 138.9
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