CID 6446401

Brn 2272819

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(C)(C)C(/C=C/C1=C(C=CC(=C1)OC)OC)O
InChI
InChI=1S/C15H22O3/c1-15(2,3)14(16)9-6-11-10-12(17-4)7-8-13(11)18-5/h6-10,14,16H,1-5H3/b9-6+
InChIKey
KVCZJXBDPDDPBH-RMKNXTFCSA-N
Compound name
(E)-1-(2,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 159.8
[M+Na]+ 273.14611 170.8
[M+NH4]+ 268.19071 166.4
[M+K]+ 289.12005 165.5
[M-H]- 249.14961 160.0
[M+Na-2H]- 271.13156 164.1
[M]+ 250.15634 161.3
[M]- 250.15744 161.3
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.