CID 15908

1892-57-5

Structural Information

Molecular Formula

C₈H₁₇N₃

SMILES

CCN=C=NCCCN(C)C

InChI

InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3

InChIKey

LMDZBCPBFSXMTL-UHFFFAOYSA-N

Compound name

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1275
References: 40166
Patents: 155.14224 Da
Monoisotopic Mass: 1.9
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]+	156.14952	136.6
[M+Na]+	178.13146	142.1
[M-H]-	154.13496	140.8
[M+NH4]+	173.17606	158.9
[M+K]+	194.10540	143.4
[M+H-H2O]+	138.13950	129.9
[M+HCOO]-	200.14044	166.6
[M+CH3COO]-	214.15609	193.6
[M+Na-2H]-	176.11691	143.5
[M]+	155.14169	139.8
[M]-	155.14279	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe