CID 22891637

279226-15-2

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC(C1=CN(C=C1)C)N

InChI

InChI=1S/C7H12N2/c1-6(8)7-3-4-9(2)5-7/h3-6H,8H2,1-2H3

InChIKey

LOCUKVKZMLTDJC-UHFFFAOYSA-N

Compound name

1-(1-methylpyrrol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 124.10005 Da
Monoisotopic Mass: -0.1
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]+	125.107326	125.9
[M+Na]+	147.089268	133.9
[M-H]-	123.092774	128.1
[M+NH4]+	142.133873	148.4
[M+K]+	163.063208	132.8
[M+H-H2O]+	107.097310	119.9
[M+HCOO]-	169.098251	150.0
[M+CH3COO]-	183.113901	174.1
[M+Na-2H]-	145.074716	130.2
[M]+	124.09950142	124.3
[M]-	124.10059858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe