CID 27129

15190-08-6

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

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

InChI

InChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3

InChIKey

UWSLRLXBDMTSFR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.06108 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]+	195.068356	143.5
[M+Na]+	217.050298	153.4
[M-H]-	193.053804	147.8
[M+NH4]+	212.094903	162.1
[M+K]+	233.024238	149.7
[M+H-H2O]+	177.058340	131.7
[M+HCOO]-	239.059281	160.4
[M+CH3COO]-	253.074931	201.1
[M+Na-2H]-	215.035746	147.7
[M]+	194.06053142	140.7
[M]-	194.06162858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe