CID 55281159

2306262-39-3

Structural Information

Molecular Formula

C₅H₁₃N₃

SMILES

C1C(CN1)(CN)CN

InChI

InChI=1S/C5H13N3/c6-1-5(2-7)3-8-4-5/h8H,1-4,6-7H2

InChIKey

MGHSXBVGEHKQCR-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)azetidin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 115.11095 Da
Monoisotopic Mass: -2.2
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]+	116.11823	127.0
[M+Na]+	138.10017	130.5
[M+NH4]+	133.14477	131.9
[M+K]+	154.07411	126.3
[M-H]-	114.10367	125.1
[M+Na-2H]-	136.08562	129.7
[M]+	115.11040	125.5
[M]-	115.11150	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.