CID 2063875

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

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)O)OC2=O

InChI

InChI=1S/C15H14O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h5-7H,1-4,8H2,(H,16,17)

InChIKey

VSLUULHUGBODEF-UHFFFAOYSA-N

Compound name

2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 274.08414 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.091416	155.8
[M+Na]+	297.073358	163.5
[M-H]-	273.076864	160.4
[M+NH4]+	292.117963	171.9
[M+K]+	313.047298	161.7
[M+H-H2O]+	257.081400	148.9
[M+HCOO]-	319.082341	173.0
[M+CH3COO]-	333.097991	196.4
[M+Na-2H]-	295.058806	162.6
[M]+	274.08359142	157.6
[M]-	274.08468858	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe