CID 3067222

80916-80-9

Structural Information

Molecular Formula

C₁₃H₁₂N₄O₄

SMILES

COCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3

InChI

InChI=1S/C13H12N4O4/c1-19-5-6-20-10-4-2-3-8-7-9(12-14-16-17-15-12)13(18)21-11(8)10/h2-4,7H,5-6H2,1H3,(H,14,15,16,17)

InChIKey

WRUXSVNIFXMCMP-UHFFFAOYSA-N

Compound name

8-(2-methoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 288.08585 Da
Monoisotopic Mass: 1.0
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]+	289.093126	161.8
[M+Na]+	311.075068	173.3
[M-H]-	287.078574	164.6
[M+NH4]+	306.119673	172.7
[M+K]+	327.049008	169.8
[M+H-H2O]+	271.083110	151.9
[M+HCOO]-	333.084051	181.4
[M+CH3COO]-	347.099701	173.6
[M+Na-2H]-	309.060516	169.1
[M]+	288.08530142	168.1
[M]-	288.08639858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe