CID 11083881

2-methylnicotinaldehyde

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=N1)C=O

InChI

InChI=1S/C7H7NO/c1-6-7(5-9)3-2-4-8-6/h2-5H,1H3

InChIKey

JHRPHASLIZOEBJ-UHFFFAOYSA-N

Compound name

2-methylpyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1223
Patents: 121.052765 Da
Monoisotopic Mass: 0.7
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]+	122.06004	121.7
[M+Na]+	144.04198	135.9
[M+NH4]+	139.08659	130.7
[M+K]+	160.01592	129.1
[M-H]-	120.04549	123.7
[M+Na-2H]-	142.02743	129.9
[M]+	121.05222	124.3
[M]-	121.05331	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe