CID 212050

23826-76-8

Structural Information

Molecular Formula

C₁₂H₂₁N₃

SMILES

CCN(CC)CCNC1=NC=CC(=C1)C

InChI

InChI=1S/C12H21N3/c1-4-15(5-2)9-8-14-12-10-11(3)6-7-13-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)

InChIKey

AUNNWVPUSFLSFD-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-(4-methylpyridin-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.17355 Da
Monoisotopic Mass: 2.3
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]+	208.18083	150.1
[M+Na]+	230.16277	155.6
[M-H]-	206.16627	153.3
[M+NH4]+	225.20737	168.0
[M+K]+	246.13671	154.1
[M+H-H2O]+	190.17081	142.1
[M+HCOO]-	252.17175	174.9
[M+CH3COO]-	266.18740	197.4
[M+Na-2H]-	228.14822	156.0
[M]+	207.17300	151.8
[M]-	207.17410	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe