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

452
Patents

184.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 154.1
[M+Na]+ 207.05288 164.0
[M-H]- 183.05638 157.6
[M+NH4]+ 202.09748 167.2
[M+K]+ 223.02682 160.1
[M+H-H2O]+ 167.06092 139.1
[M+HCOO]- 229.06186 166.7
[M+CH3COO]- 243.07751 214.8
[M+Na-2H]- 205.03833 156.1
[M]+ 184.06311 146.5
[M]- 184.06421 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe