CID 63091438

1341333-91-2

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CNC1=C(N=CC=C1)N(C)C

InChI

InChI=1S/C8H13N3/c1-9-7-5-4-6-10-8(7)11(2)3/h4-6,9H,1-3H3

InChIKey

FDYNVUGZXKGSHY-UHFFFAOYSA-N

Compound name

2-N,2-N,3-N-trimethylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 151.11095 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]+	152.11823	131.7
[M+Na]+	174.10017	138.9
[M-H]-	150.10367	135.7
[M+NH4]+	169.14477	151.9
[M+K]+	190.07411	138.5
[M+H-H2O]+	134.10821	124.6
[M+HCOO]-	196.10915	157.9
[M+CH3COO]-	210.12480	185.3
[M+Na-2H]-	172.08562	139.7
[M]+	151.11040	131.9
[M]-	151.11150	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe