CID 605590

90797-31-2

Structural Information

Molecular Formula

C₉H₁₄ClN₅

SMILES

C1CCN(CC1)C2=NC(=NC(=N2)N)CCl

InChI

InChI=1S/C9H14ClN5/c10-6-7-12-8(11)14-9(13-7)15-4-2-1-3-5-15/h1-6H2,(H2,11,12,13,14)

InChIKey

VLGDSUDZOVZMHX-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.09378 Da
Monoisotopic Mass: 1.4
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]+	228.10106	149.2
[M+Na]+	250.08300	162.4
[M+NH4]+	245.12760	156.6
[M+K]+	266.05694	155.6
[M-H]-	226.08650	151.5
[M+Na-2H]-	248.06845	156.4
[M]+	227.09323	151.8
[M]-	227.09433	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe