CID 642108

5-methyl-2-furonitrile

Structural Information

Molecular Formula

SMILES

CC1=CC=C(O1)C#N

InChI

InChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3

InChIKey

XGCRBVWSFYTMEC-UHFFFAOYSA-N

Compound name

5-methylfuran-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 164
Patents: 107.03712 Da
Monoisotopic Mass: 1.4
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]+	108.04440	119.2
[M+Na]+	130.02634	131.2
[M+NH4]+	125.07094	124.9
[M+K]+	146.00028	124.2
[M-H]-	106.02984	114.8
[M+Na-2H]-	128.01179	123.1
[M]+	107.03657	118.8
[M]-	107.03767	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe