CID 15477844

Schembl16386594

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

CC(=NCCNCCN)C

InChI

InChI=1S/C7H17N3/c1-7(2)10-6-5-9-4-3-8/h9H,3-6,8H2,1-2H3

InChIKey

QQJKPYHQKFQXMD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 143.14224 Da
Monoisotopic Mass: -1.3
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	134.3
[M+Na]+	166.13146	139.0
[M-H]-	142.13496	135.2
[M+NH4]+	161.17606	155.4
[M+K]+	182.10540	138.9
[M+H-H2O]+	126.13950	128.2
[M+HCOO]-	188.14044	160.8
[M+CH3COO]-	202.15609	186.1
[M+Na-2H]-	164.11691	139.6
[M]+	143.14169	132.9
[M]-	143.14279	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe