CID 2063

Tyrphostin a1

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

COC1=CC=C(C=C1)C=C(C#N)C#N

InChI

InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3

InChIKey

UOHFCPXBKJPCAD-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 155
References: 415
Patents: 184.06366 Da
Monoisotopic Mass: 2.0
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]+	185.07094	167.2
[M+Na]+	207.05288	176.0
[M+NH4]+	202.09748	167.9
[M+K]+	223.02682	165.2
[M-H]-	183.05638	157.3
[M+Na-2H]-	205.03833	166.7
[M]+	184.06311	164.4
[M]-	184.06421	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe