CID 5374281

P-(dimethylamino)cinnamonitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

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

InChI

InChI=1S/C11H12N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h3-8H,1-2H3/b4-3+

InChIKey

CSCOHKCYDZVRMQ-ONEGZZNKSA-N

Compound name

(E)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 175
Patents: 172.10005 Da
Monoisotopic Mass: 2.6
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]+	173.10733	140.2
[M+Na]+	195.08927	149.5
[M-H]-	171.09277	144.6
[M+NH4]+	190.13387	159.0
[M+K]+	211.06321	146.7
[M+H-H2O]+	155.09731	127.5
[M+HCOO]-	217.09825	162.0
[M+CH3COO]-	231.11390	198.3
[M+Na-2H]-	193.07472	145.6
[M]+	172.09950	135.7
[M]-	172.10060	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe