CID 6448632

3-methyl-2-butenyl 5-(4-hydroxy-3-methoxyphenyl)-2,4-pentadienoate

Structural Information

Molecular Formula
C17H20O4
SMILES
CC(=CCOC(=O)/C=C/C=C/C1=CC(=C(C=C1)O)OC)C
InChI
InChI=1S/C17H20O4/c1-13(2)10-11-21-17(19)7-5-4-6-14-8-9-15(18)16(12-14)20-3/h4-10,12,18H,11H2,1-3H3/b6-4+,7-5+
InChIKey
YTWZKVCMXGOQQQ-YDFGWWAZSA-N
Compound name
3-methylbut-2-enyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 168.0
[M+Na]+ 311.12539 174.2
[M-H]- 287.12889 169.9
[M+NH4]+ 306.16999 183.3
[M+K]+ 327.09933 170.3
[M+H-H2O]+ 271.13343 161.5
[M+HCOO]- 333.13437 188.2
[M+CH3COO]- 347.15002 199.0
[M+Na-2H]- 309.11084 167.8
[M]+ 288.13562 171.2
[M]- 288.13672 171.2
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