CID 6365527

54757-48-1

Structural Information

Molecular Formula
C16H22O2
SMILES
CC1=CC(=C(C(=C1/C=C/C(C)(C=C)O)C)C)OC
InChI
InChI=1S/C16H22O2/c1-7-16(5,17)9-8-14-11(2)10-15(18-6)13(4)12(14)3/h7-10,17H,1H2,2-6H3/b9-8+
InChIKey
DLEFXRUYVNNBFL-CMDGGOBGSA-N
Compound name
(1E)-1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

246.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 157.1
[M+Na]+ 269.15121 166.0
[M-H]- 245.15471 160.0
[M+NH4]+ 264.19581 175.2
[M+K]+ 285.12515 162.0
[M+H-H2O]+ 229.15925 152.2
[M+HCOO]- 291.16019 177.2
[M+CH3COO]- 305.17584 196.6
[M+Na-2H]- 267.13666 159.4
[M]+ 246.16144 160.3
[M]- 246.16254 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe