CID 92365

Concep

Structural Information

Molecular Formula

C₁₀H₇N₃O

SMILES

C1=CC=C(C=C1)C(=NOCC#N)C#N

InChI

InChI=1S/C10H7N3O/c11-6-7-14-13-10(8-12)9-4-2-1-3-5-9/h1-5H,7H2

InChIKey

PYKLUAIDKVVEOS-UHFFFAOYSA-N

Compound name

N-(cyanomethoxy)benzenecarboximidoyl cyanide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 9974
Patents: 185.05891 Da
Monoisotopic Mass: 1.9
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]+	186.066186	154.1
[M+Na]+	208.048128	163.1
[M-H]-	184.051634	157.9
[M+NH4]+	203.092733	166.9
[M+K]+	224.022068	160.0
[M+H-H2O]+	168.056170	138.3
[M+HCOO]-	230.057111	168.2
[M+CH3COO]-	244.072761	217.0
[M+Na-2H]-	206.033576	157.2
[M]+	185.05836142	146.6
[M]-	185.05945858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe