CID 136523

6-(dimethylamino)fulvene

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CN(C)C=C1C=CC=C1

InChI

InChI=1S/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3

InChIKey

UJXXVGXQTXQALL-UHFFFAOYSA-N

Compound name

1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 106
Patents: 121.08915 Da
Monoisotopic Mass: 1.8
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]+	122.096426	124.9
[M+Na]+	144.078368	132.3
[M-H]-	120.081874	130.1
[M+NH4]+	139.122973	149.5
[M+K]+	160.052308	131.7
[M+H-H2O]+	104.086410	119.3
[M+HCOO]-	166.087351	152.2
[M+CH3COO]-	180.103001	175.3
[M+Na-2H]-	142.063816	130.9
[M]+	121.08860142	124.9
[M]-	121.08969858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe