CID 13128

2-methylpropylenediamine

Structural Information

Molecular Formula

C₄H₁₂N₂

SMILES

CC(C)(CN)N

InChI

InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3

InChIKey

OPCJOXGBLDJWRM-UHFFFAOYSA-N

Compound name

2-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 21635
Patents: 88.10005 Da
Monoisotopic Mass: -1.0
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	118.3
[M+Na]+	111.08927	125.1
[M-H]-	87.092774	118.1
[M+NH4]+	106.13387	141.2
[M+K]+	127.06321	125.0
[M+H-H2O]+	71.097310	114.2
[M+HCOO]-	133.09825	141.9
[M+CH3COO]-	147.11390	169.6
[M+Na-2H]-	109.07472	125.3
[M]+	88.099501	114.6
[M]-	88.100599	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe