CID 119082985

3-methyl-1h-pyrrol-1-amine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CC1=CN(C=C1)N

InChI

InChI=1S/C5H8N2/c1-5-2-3-7(6)4-5/h2-4H,6H2,1H3

InChIKey

IFEXEVPFINMYJV-UHFFFAOYSA-N

Compound name

3-methylpyrrol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 96.06875 Da
Monoisotopic Mass: 0.8
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]+	97.076026	115.9
[M+Na]+	119.05797	125.0
[M-H]-	95.061474	118.3
[M+NH4]+	114.10257	139.5
[M+K]+	135.03191	123.9
[M+H-H2O]+	79.066010	110.2
[M+HCOO]-	141.06695	141.6
[M+CH3COO]-	155.08260	167.2
[M+Na-2H]-	117.04342	122.5
[M]+	96.068201	114.1
[M]-	96.069299	114.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe