CID 20542240

Schembl11269557

Structural Information

Molecular Formula

C₁₁H₂₃N₃

SMILES

CCN(CC)CCCN=C=NC(C)C

InChI

InChI=1S/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3

InChIKey

GXBUDKQFSZDRHN-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 197.1892 Da
Monoisotopic Mass: 3.0
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]+	198.196476	151.5
[M+Na]+	220.178418	155.5
[M-H]-	196.181924	155.2
[M+NH4]+	215.223023	172.1
[M+K]+	236.152358	156.4
[M+H-H2O]+	180.186460	144.3
[M+HCOO]-	242.187401	179.5
[M+CH3COO]-	256.203051	203.5
[M+Na-2H]-	218.163866	155.4
[M]+	197.18865142	155.1
[M]-	197.18974858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe