CID 23657850

N-[(e)-4-ammoniobutylidene]propane-1,3-diaminium

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

C(CC=NCCCN)CN

InChI

InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2

InChIKey

YAVLYBVKPXLZEQ-UHFFFAOYSA-N

Compound name

4-(3-aminopropylimino)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 143.14224 Da
Monoisotopic Mass: -1.4
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]+	144.14952	132.9
[M+Na]+	166.13146	137.9
[M-H]-	142.13496	133.2
[M+NH4]+	161.17606	153.7
[M+K]+	182.10540	136.9
[M+H-H2O]+	126.13950	126.7
[M+HCOO]-	188.14044	159.8
[M+CH3COO]-	202.15609	184.6
[M+Na-2H]-	164.11691	138.5
[M]+	143.14169	131.2
[M]-	143.14279	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe