CID 66881

102-26-1

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCC1NC(NC(N1)CC)CC

InChI

InChI=1S/C9H21N3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-12H,4-6H2,1-3H3

InChIKey

BAPJNTSMYWUXMK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 171.17355 Da
Monoisotopic Mass: 1.9
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]+	172.18083	146.6
[M+Na]+	194.16277	151.7
[M-H]-	170.16627	141.1
[M+NH4]+	189.20737	161.2
[M+K]+	210.13671	147.4
[M+H-H2O]+	154.17081	139.5
[M+HCOO]-	216.17175	158.3
[M+CH3COO]-	230.18740	175.2
[M+Na-2H]-	192.14822	148.6
[M]+	171.17300	138.9
[M]-	171.17410	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe