CID 14232103

N-methyl-1h-pyrrol-1-amine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CNN1C=CC=C1

InChI

InChI=1S/C5H8N2/c1-6-7-4-2-3-5-7/h2-6H,1H3

InChIKey

XDBORIMSNLCXQK-UHFFFAOYSA-N

Compound name

N-methylpyrrol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 96.06875 Da
Monoisotopic Mass: 1.1
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]+	97.076026	115.7
[M+Na]+	119.05797	123.9
[M-H]-	95.061474	118.3
[M+NH4]+	114.10257	139.3
[M+K]+	135.03191	123.2
[M+H-H2O]+	79.066010	109.7
[M+HCOO]-	141.06695	142.1
[M+CH3COO]-	155.08260	166.8
[M+Na-2H]-	117.04342	124.1
[M]+	96.068201	114.6
[M]-	96.069299	114.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe