CID 4526530

15995-42-3

Structural Information

Molecular Formula

C₅H₁₅N₃

SMILES

CC(CN)(CN)CN

InChI

InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3

InChIKey

UGDSCHVVUPHIFM-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-2-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 801
Patents: 117.126595 Da
Monoisotopic Mass: -1.9
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]+	118.13387	124.9
[M+Na]+	140.11581	131.5
[M+NH4]+	135.16042	132.1
[M+K]+	156.08975	128.1
[M-H]-	116.11932	125.0
[M+Na-2H]-	138.10126	127.8
[M]+	117.12605	125.4
[M]-	117.12714	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe