CID 58308986

1610927-48-4

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

CCC(=NCCNCCN)C

InChI

InChI=1S/C8H19N3/c1-3-8(2)11-7-6-10-5-4-9/h10H,3-7,9H2,1-2H3

InChIKey

IDVBKKCJFNEYBK-UHFFFAOYSA-N

Compound name

N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 157.1579 Da
Monoisotopic Mass: -0.8
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]+	158.165176	138.8
[M+Na]+	180.147118	143.1
[M-H]-	156.150624	139.6
[M+NH4]+	175.191723	159.3
[M+K]+	196.121058	142.7
[M+H-H2O]+	140.155160	132.5
[M+HCOO]-	202.156101	165.0
[M+CH3COO]-	216.171751	189.1
[M+Na-2H]-	178.132566	143.5
[M]+	157.15735142	137.8
[M]-	157.15844858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe