CID 24512

7779-27-3

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCN1CN(CN(C1)CC)CC

InChI

InChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3

InChIKey

XYRTVIAPRQLSOW-UHFFFAOYSA-N

Compound name

1,3,5-triethyl-1,3,5-triazinane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 1224
Patents: 171.17355 Da
Monoisotopic Mass: 1.5
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]+	172.180826	143.7
[M+Na]+	194.162768	150.0
[M-H]-	170.166274	142.3
[M+NH4]+	189.207373	160.5
[M+K]+	210.136708	148.5
[M+H-H2O]+	154.170810	135.7
[M+HCOO]-	216.171751	159.9
[M+CH3COO]-	230.187401	183.0
[M+Na-2H]-	192.148216	147.3
[M]+	171.17300142	141.6
[M]-	171.17409858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe