CID 10900084

39263-34-8

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CN(C)C=NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H10N4O2/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11/h3-5,7H,1-2H3

InChIKey

RLSZPRPVHOOMBN-UHFFFAOYSA-N

Compound name

N'-(2-cyano-4-nitrophenyl)-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 142
Patents: 218.08037 Da
Monoisotopic Mass: 1.1
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]+	219.08765	152.4
[M+Na]+	241.06959	160.6
[M-H]-	217.07309	157.8
[M+NH4]+	236.11419	168.6
[M+K]+	257.04353	156.0
[M+H-H2O]+	201.07763	142.7
[M+HCOO]-	263.07857	177.1
[M+CH3COO]-	277.09422	204.4
[M+Na-2H]-	239.05504	158.3
[M]+	218.07982	147.5
[M]-	218.08092	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe