CID 3016427

44816-77-5

Structural Information

Molecular Formula

C₆H₁₇N₃

SMILES

CC(CN)NCC(C)N

InChI

InChI=1S/C6H17N3/c1-5(8)4-9-6(2)3-7/h5-6,9H,3-4,7-8H2,1-2H3

InChIKey

ZWSGQNNHVMWSFL-UHFFFAOYSA-N

Compound name

2-N-(2-aminopropyl)propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11137
Patents: 131.14224 Da
Monoisotopic Mass: -1.2
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]+	132.14952	130.8
[M+Na]+	154.13146	137.1
[M+NH4]+	149.17606	138.0
[M+K]+	170.10540	133.5
[M-H]-	130.13496	131.3
[M+Na-2H]-	152.11691	133.2
[M]+	131.14169	131.3
[M]-	131.14279	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe