CID 76184

2904-60-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CC1=C(C(=C=[N+]=O)C(=C(C1=C=N[O-])C)C)C

InChI

InChI=1S/C12H12N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h1-4H3

InChIKey

RPJCZVIYUCJOSA-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 216.08987 Da
Monoisotopic Mass: None
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]+	217.09715	147.5
[M+Na]+	239.07909	162.1
[M+NH4]+	234.12369	154.9
[M+K]+	255.05303	156.6
[M-H]-	215.08259	151.5
[M+Na-2H]-	237.06454	153.2
[M]+	216.08932	150.5
[M]-	216.09042	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe