CID 110780

6106-18-9

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)O)O
InChI
InChI=1S/C15H20O4/c1-8(14(18)19)10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)17/h5,7-8,10,13,17H,4,6H2,1-3H3,(H,18,19)
InChIKey
NAFMKGXZYMJXGH-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.9
[M+Na]+ 287.12539 169.9
[M+NH4]+ 282.16999 168.0
[M+K]+ 303.09933 163.8
[M-H]- 263.12889 159.9
[M+Na-2H]- 285.11084 162.8
[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.