CID 11171447

267418-91-7

Structural Information

Molecular Formula

C₅H₁₃N₃

SMILES

C1[C@H](CNC[C@H]1N)N

InChI

InChI=1S/C5H13N3/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3,6-7H2/t4-,5+

InChIKey

VMMXQCOKHQCHHD-SYDPRGILSA-N

Compound name

(3S,5R)-piperidine-3,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 115.11095 Da
Monoisotopic Mass: -1.8
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]+	116.118226	124.7
[M+Na]+	138.100168	129.6
[M-H]-	114.103674	124.1
[M+NH4]+	133.144773	144.1
[M+K]+	154.074108	127.5
[M+H-H2O]+	98.108210	118.6
[M+HCOO]-	160.109151	144.1
[M+CH3COO]-	174.124801	169.9
[M+Na-2H]-	136.085616	129.3
[M]+	115.11040142	114.3
[M]-	115.11149858	114.3

Literature stripe

literature stripe

Patent stripe

patents stripe