CID 131751378

[8]-dehydroshogaol

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCCC/C=C/C(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-15,21H,3-8H2,1-2H3/b10-9+,13-11-
InChIKey
WTJRJJFXDZXSLU-LTCRFSFDSA-N
Compound name
(1Z,4E)-1-(4-hydroxy-3-methoxyphenyl)dodeca-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.1882 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 175.4
[M+Na]+ 325.17742 180.6
[M-H]- 301.18092 176.6
[M+NH4]+ 320.22202 190.1
[M+K]+ 341.15136 175.6
[M+H-H2O]+ 285.18546 168.4
[M+HCOO]- 347.18640 195.3
[M+CH3COO]- 361.20205 204.2
[M+Na-2H]- 323.16287 175.1
[M]+ 302.18765 179.2
[M]- 302.18875 179.2
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