CID 535890

13017-52-2

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC(C)C(=C(C#N)C#N)C

InChI

InChI=1S/C8H10N2/c1-6(2)7(3)8(4-9)5-10/h6H,1-3H3

InChIKey

SZQDVOLRVOUCSJ-UHFFFAOYSA-N

Compound name

2-(3-methylbutan-2-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 134.0844 Da
Monoisotopic Mass: 2.1
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]+	135.09168	157.6
[M+Na]+	157.07362	164.7
[M+NH4]+	152.11822	158.1
[M+K]+	173.04756	155.5
[M-H]-	133.07712	146.3
[M+Na-2H]-	155.05907	155.4
[M]+	134.08385	154.0
[M]-	134.08495	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe