CID 203312

Brn 0636843

Structural Information

Molecular Formula

C₇H₁₅N₃

SMILES

CC1=NC(CN(N1)C)(C)C

InChI

InChI=1S/C7H15N3/c1-6-8-7(2,3)5-10(4)9-6/h5H2,1-4H3,(H,8,9)

InChIKey

OGWXVCXUBLOEAL-UHFFFAOYSA-N

Compound name

1,3,5,5-tetramethyl-2,6-dihydro-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.1266 Da
Monoisotopic Mass: 0.0
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]+	142.13388	131.9
[M+Na]+	164.11582	140.7
[M-H]-	140.11932	130.4
[M+NH4]+	159.16042	151.4
[M+K]+	180.08976	138.9
[M+H-H2O]+	124.12386	125.6
[M+HCOO]-	186.12480	148.8
[M+CH3COO]-	200.14045	173.4
[M+Na-2H]-	162.10127	138.4
[M]+	141.12605	129.0
[M]-	141.12715	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe