CID 90477878

960-50-9

Structural Information

Molecular Formula
C15H20O4
SMILES
CCC1CC(C2=C(C1C(=O)OC)C=CC=C2OC)O
InChI
InChI=1S/C15H20O4/c1-4-9-8-11(16)14-10(13(9)15(17)19-3)6-5-7-12(14)18-2/h5-7,9,11,13,16H,4,8H2,1-3H3
InChIKey
FIUYHPMYPVTZRO-UHFFFAOYSA-N
Compound name
methyl 2-ethyl-4-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.2
[M+Na]+ 287.12539 166.4
[M-H]- 263.12889 162.3
[M+NH4]+ 282.16999 176.8
[M+K]+ 303.09933 164.2
[M+H-H2O]+ 247.13343 153.1
[M+HCOO]- 309.13437 177.1
[M+CH3COO]- 323.15002 197.4
[M+Na-2H]- 285.11084 161.2
[M]+ 264.13562 161.2
[M]- 264.13672 161.2
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

No patent data available for this compound.