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

3
Annotation Hits: 0
References: 1730
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]+	186.06619	154.1
[M+Na]+	208.04813	163.1
[M-H]-	184.05163	157.9
[M+NH4]+	203.09273	166.9
[M+K]+	224.02207	160.0
[M+H-H2O]+	168.05617	138.3
[M+HCOO]-	230.05711	168.2
[M+CH3COO]-	244.07276	217.0
[M+Na-2H]-	206.03358	157.2
[M]+	185.05836	146.6
[M]-	185.05946	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe