CID 92023

56139-76-5

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CN1C=CC=C1CN(C)C

InChI

InChI=1S/C8H14N2/c1-9(2)7-8-5-4-6-10(8)3/h4-6H,7H2,1-3H3

InChIKey

AQVCJKMGVKNXCB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(1-methylpyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 138.11569 Da
Monoisotopic Mass: 0.5
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]+	139.12297	129.4
[M+Na]+	161.10491	137.4
[M-H]-	137.10841	133.4
[M+NH4]+	156.14951	152.3
[M+K]+	177.07885	137.3
[M+H-H2O]+	121.11295	122.9
[M+HCOO]-	183.11389	155.2
[M+CH3COO]-	197.12954	180.6
[M+Na-2H]-	159.09036	134.7
[M]+	138.11514	131.0
[M]-	138.11624	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe