CID 54704722

Cremeomycin(1-)

Structural Information

Molecular Formula

C₈H₆N₂O₄

SMILES

COC1=C(C(=C(C=C1)C(=O)O)[O-])[N+]#N

InChI

InChI=1S/C8H6N2O4/c1-14-5-3-2-4(8(12)13)7(11)6(5)10-9/h2-3H,1H3,(H-,11,12,13)

InChIKey

IGWQRYHQYGPQLO-UHFFFAOYSA-N

Compound name

6-carboxy-2-diazonio-3-methoxyphenolate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 194.03276 Da
Monoisotopic Mass: 2.9
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]+	195.04004	137.4
[M+Na]+	217.02198	149.7
[M+NH4]+	212.06658	141.3
[M+K]+	232.99592	144.3
[M-H]-	193.02548	132.3
[M+Na-2H]-	215.00743	140.3
[M]+	194.03221	136.7
[M]-	194.03331	136.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.