CID 4640615

98507-06-3

Structural Information

Molecular Formula

C₁₀H₈N₄

SMILES

CC1=CC(=NC#N)C(=CC1=NC#N)C

InChI

InChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3

InChIKey

GJCNOUWCQVLIEI-UHFFFAOYSA-N

Compound name

(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
Patents: 184.07489 Da
Monoisotopic Mass: 1.4
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]+	185.08217	170.7
[M+Na]+	207.06411	179.0
[M+NH4]+	202.10871	171.4
[M+K]+	223.03805	167.9
[M-H]-	183.06761	161.9
[M+Na-2H]-	205.04956	170.0
[M]+	184.07434	168.1
[M]-	184.07544	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe