CID 10996966

(1h-pyrrol-2-yl)methanamine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1=CNC(=C1)CN

InChI

InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2

InChIKey

YXMWGHKZTMANIJ-UHFFFAOYSA-N

Compound name

1H-pyrrol-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 711
Patents: 96.06875 Da
Monoisotopic Mass: -0.4
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]+	97.076026	116.7
[M+Na]+	119.05797	124.5
[M-H]-	95.061474	117.3
[M+NH4]+	114.10257	139.3
[M+K]+	135.03191	122.5
[M+H-H2O]+	79.066010	110.9
[M+HCOO]-	141.06695	140.9
[M+CH3COO]-	155.08260	163.4
[M+Na-2H]-	117.04342	123.6
[M]+	96.068201	112.7
[M]-	96.069299	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe