CID 10313091

115310-97-9

Structural Information

Molecular Formula

C₄H₁₃N₃

SMILES

C(C(CN)CN)N

InChI

InChI=1S/C4H13N3/c5-1-4(2-6)3-7/h4H,1-3,5-7H2

InChIKey

XXZJETFEIRYFCD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 416
Patents: 103.11095 Da
Monoisotopic Mass: -2.3
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]+	104.118226	122.4
[M+Na]+	126.100168	127.7
[M-H]-	102.103674	121.3
[M+NH4]+	121.144773	143.7
[M+K]+	142.074108	127.2
[M+H-H2O]+	86.108210	117.0
[M+HCOO]-	148.109151	146.9
[M+CH3COO]-	162.124801	174.7
[M+Na-2H]-	124.085616	126.5
[M]+	103.11040142	116.7
[M]-	103.11149858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe