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

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	116.11823	123.1
[M+Na]+	138.10017	131.5
[M+NH4]+	133.14477	131.3
[M+K]+	154.07411	127.0
[M-H]-	114.10367	124.9
[M+Na-2H]-	136.08562	127.4
[M]+	115.11040	124.3
[M]-	115.11150	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe