CID 137736

2826-28-0

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

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

InChI

InChI=1S/C12H11N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,1-2H3

InChIKey

IYNONQVNLZATDK-UHFFFAOYSA-N

Compound name

2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 76
Patents: 197.09529 Da
Monoisotopic Mass: 2.1
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]+	198.10257	172.7
[M+Na]+	220.08451	180.9
[M+NH4]+	215.12911	173.4
[M+K]+	236.05845	170.2
[M-H]-	196.08801	163.4
[M+Na-2H]-	218.06996	172.1
[M]+	197.09474	170.0
[M]-	197.09584	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe