CID 9943542

Alpha-cehc

Structural Information

Molecular Formula
C16H22O4
SMILES
CC1=C(C2=C(CCC(O2)(C)CCC(=O)O)C(=C1O)C)C
InChI
InChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)
InChIKey
AXODOWFEFKOVSH-UHFFFAOYSA-N
Compound name
3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

170
Patents

278.1518 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 163.2
[M+Na]+ 301.14102 171.6
[M-H]- 277.14452 166.2
[M+NH4]+ 296.18562 180.6
[M+K]+ 317.11496 169.6
[M+H-H2O]+ 261.14906 158.3
[M+HCOO]- 323.15000 178.3
[M+CH3COO]- 337.16565 199.7
[M+Na-2H]- 299.12647 165.8
[M]+ 278.15125 165.4
[M]- 278.15235 165.4
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.