CID 717832

2-({4-methyl-6-oxo-6h,7h,8h,9h,10h-cyclohexa[c]chromen-3-yl}oxy)acetic acid

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)O
InChI
InChI=1S/C16H16O5/c1-9-13(20-8-14(17)18)7-6-11-10-4-2-3-5-12(10)16(19)21-15(9)11/h6-7H,2-5,8H2,1H3,(H,17,18)
InChIKey
NLSCDENFKALNMR-UHFFFAOYSA-N
Compound name
2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 160.7
[M+Na]+ 311.08898 168.8
[M-H]- 287.09248 165.5
[M+NH4]+ 306.13358 176.5
[M+K]+ 327.06292 166.8
[M+H-H2O]+ 271.09702 153.8
[M+HCOO]- 333.09796 177.4
[M+CH3COO]- 347.11361 200.7
[M+Na-2H]- 309.07443 166.2
[M]+ 288.09921 163.2
[M]- 288.10031 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.