CID 229022

Nsc22368

Structural Information

Molecular Formula

C₁₂H₂₃N₃

SMILES

CC1=C(C(=C(N1)C)CN(C)C)CN(C)C

InChI

InChI=1S/C12H23N3/c1-9-11(7-14(3)4)12(8-15(5)6)10(2)13-9/h13H,7-8H2,1-6H3

InChIKey

IWCTUQVJGXUFIL-UHFFFAOYSA-N

Compound name

1-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 209.1892 Da
Monoisotopic Mass: 1.2
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]+	210.19648	151.9
[M+Na]+	232.17842	161.4
[M+NH4]+	227.22302	159.5
[M+K]+	248.15236	157.8
[M-H]-	208.18192	154.1
[M+Na-2H]-	230.16387	156.0
[M]+	209.18865	153.6
[M]-	209.18975	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe