CID 27028

15106-65-7

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CCOC(=O)C(C#N)N=NC1=CC=CC=C1

InChI

InChI=1S/C11H11N3O2/c1-2-16-11(15)10(8-12)14-13-9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

InChIKey

ZZAUOILIPHYSIL-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-phenyldiazenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 217.08513 Da
Monoisotopic Mass: 2.4
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]+	218.09241	150.4
[M+Na]+	240.07435	158.1
[M-H]-	216.07785	155.4
[M+NH4]+	235.11895	167.1
[M+K]+	256.04829	157.0
[M+H-H2O]+	200.08239	136.2
[M+HCOO]-	262.08333	173.8
[M+CH3COO]-	276.09898	207.0
[M+Na-2H]-	238.05980	155.7
[M]+	217.08458	147.6
[M]-	217.08568	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe