CID 58850

Malononitrile, (2-hydroxy-1-(naphthylmethylene))-

Structural Information

Molecular Formula
C14H8N2O
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C#N)O
InChI
InChI=1S/C14H8N2O/c15-8-10(9-16)7-13-12-4-2-1-3-11(12)5-6-14(13)17/h1-7,17H
InChIKey
UCDYXURSVIOOCB-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

220.06366 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07094 166.8
[M+Na]+ 243.05288 177.8
[M-H]- 219.05638 169.7
[M+NH4]+ 238.09748 179.2
[M+K]+ 259.02682 170.4
[M+H-H2O]+ 203.06092 152.0
[M+HCOO]- 265.06186 177.5
[M+CH3COO]- 279.07751 218.0
[M+Na-2H]- 241.03833 168.5
[M]+ 220.06311 158.0
[M]- 220.06421 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe