CID 15920061

(1-aminopropan-2-yl)(methyl)amine

Structural Information

Molecular Formula

C₄H₁₂N₂

SMILES

CC(CN)NC

InChI

InChI=1S/C4H12N2/c1-4(3-5)6-2/h4,6H,3,5H2,1-2H3

InChIKey

GINJNNGWMNSBIG-UHFFFAOYSA-N

Compound name

2-N-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 990
Patents: 88.10005 Da
Monoisotopic Mass: -0.7
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]+	89.107326	118.8
[M+Na]+	111.08927	124.9
[M-H]-	87.092774	118.9
[M+NH4]+	106.13387	141.8
[M+K]+	127.06321	125.2
[M+H-H2O]+	71.097310	114.0
[M+HCOO]-	133.09825	143.6
[M+CH3COO]-	147.11390	170.9
[M+Na-2H]-	109.07472	124.9
[M]+	88.099501	116.0
[M]-	88.100599	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe