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: 843
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]+	118.133871	126.1
[M+Na]+	140.115813	131.6
[M-H]-	116.119319	125.1
[M+NH4]+	135.160418	147.1
[M+K]+	156.089753	130.8
[M+H-H2O]+	100.123855	121.1
[M+HCOO]-	162.124796	149.7
[M+CH3COO]-	176.140446	177.2
[M+Na-2H]-	138.101261	131.6
[M]+	117.12604642	120.9
[M]-	117.12714358	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe