CID 9990345

171082-32-9

Structural Information

Molecular Formula

C₁₁H₉N₃O

SMILES

CC1=C(C(=C(C#N)C#N)OC1(C)C)C#N

InChI

InChI=1S/C11H9N3O/c1-7-9(6-14)10(8(4-12)5-13)15-11(7,2)3/h1-3H3

InChIKey

FLMBQNOAWLPZPJ-UHFFFAOYSA-N

Compound name

2-(3-cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 198
Patents: 199.07455 Da
Monoisotopic Mass: 0.4
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]+	200.08183	189.5
[M+Na]+	222.06377	193.9
[M+NH4]+	217.10837	188.3
[M+K]+	238.03771	185.5
[M-H]-	198.06727	180.2
[M+Na-2H]-	220.04922	185.8
[M]+	199.07400	186.4
[M]-	199.07510	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe