CID 69486

638-14-2

Structural Information

Molecular Formula

C₆H₁₅N₃

SMILES

CC1NC(NC(N1)C)C

InChI

InChI=1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3

InChIKey

MZSSRMMSFLVKPK-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-1,3,5-triazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 129.1266 Da
Monoisotopic Mass: 0.3
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]+	130.13388	133.7
[M+Na]+	152.11582	140.1
[M-H]-	128.11932	128.7
[M+NH4]+	147.16042	150.0
[M+K]+	168.08976	136.5
[M+H-H2O]+	112.12386	127.1
[M+HCOO]-	174.12480	146.3
[M+CH3COO]-	188.14045	166.1
[M+Na-2H]-	150.10127	137.2
[M]+	129.12605	124.9
[M]-	129.12715	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe