CID 11970729

Methyl[2-(1h-pyrrol-2-yl)ethyl]amine

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CNCCC1=CC=CN1

InChI

InChI=1S/C7H12N2/c1-8-6-4-7-3-2-5-9-7/h2-3,5,8-9H,4,6H2,1H3

InChIKey

BLNYFIUYVKPUGM-UHFFFAOYSA-N

Compound name

N-methyl-2-(1H-pyrrol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 124.10005 Da
Monoisotopic Mass: 0.6
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	125.6
[M+Na]+	147.089268	132.4
[M-H]-	123.092774	126.3
[M+NH4]+	142.133873	147.3
[M+K]+	163.063208	130.3
[M+H-H2O]+	107.097310	119.3
[M+HCOO]-	169.098251	149.7
[M+CH3COO]-	183.113901	170.2
[M+Na-2H]-	145.074716	132.4
[M]+	124.09950142	123.3
[M]-	124.10059858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe