CID 7952

108-74-7

Structural Information

Molecular Formula

C₆H₁₅N₃

SMILES

CN1CN(CN(C1)C)C

InChI

InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3

InChIKey

DPMZXMBOYHBELT-UHFFFAOYSA-N

Compound name

1,3,5-trimethyl-1,3,5-triazinane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1496
Patents: 129.1266 Da
Monoisotopic Mass: 0.4
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]+	130.13388	130.3
[M+Na]+	152.11582	137.9
[M-H]-	128.11932	129.5
[M+NH4]+	147.16042	148.7
[M+K]+	168.08976	137.2
[M+H-H2O]+	112.12386	122.9
[M+HCOO]-	174.12480	147.4
[M+CH3COO]-	188.14045	173.9
[M+Na-2H]-	150.10127	135.5
[M]+	129.12605	127.1
[M]-	129.12715	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe