CID 12530957

(1-cyanomethyl-cyclopropyl)-acetonitrile

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

C1CC1(CC#N)CC#N

InChI

InChI=1S/C7H8N2/c8-5-3-7(1-2-7)4-6-9/h1-4H2

InChIKey

UZFFTUDTQFIMFY-UHFFFAOYSA-N

Compound name

2-[1-(cyanomethyl)cyclopropyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 120.06875 Da
Monoisotopic Mass: 0.6
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]+	121.076026	133.0
[M+Na]+	143.057968	150.7
[M-H]-	119.061474	141.1
[M+NH4]+	138.102573	148.9
[M+K]+	159.031908	143.7
[M+H-H2O]+	103.066010	123.8
[M+HCOO]-	165.066951	149.1
[M+CH3COO]-	179.082601	209.6
[M+Na-2H]-	141.043416	140.8
[M]+	120.06820142	130.5
[M]-	120.06929858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe