CID 10877163

130147-45-4

Structural Information

Molecular Formula

C₅H₁₅N₃O

SMILES

C(C(CN)(CN)CO)N

InChI

InChI=1S/C5H15N3O/c6-1-5(2-7,3-8)4-9/h9H,1-4,6-8H2

InChIKey

VMQAGVBDNJCBSQ-UHFFFAOYSA-N

Compound name

3-amino-2,2-bis(aminomethyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 133.1215 Da
Monoisotopic Mass: -3.2
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]+	134.12878	127.7
[M+Na]+	156.11072	133.3
[M+NH4]+	151.15532	134.0
[M+K]+	172.08466	130.8
[M-H]-	132.11422	126.8
[M+Na-2H]-	154.09617	129.6
[M]+	133.12095	127.6
[M]-	133.12205	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe