CID 123047

1,2,3-triazine

Structural Information

Molecular Formula

C₃H₃N₃

SMILES

C1=CN=NN=C1

InChI

InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H

InChIKey

JYEUMXHLPRZUAT-UHFFFAOYSA-N

Compound name

triazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16363
References: 50593
Patents: 81.0327 Da
Monoisotopic Mass: -0.7
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]+	82.039976	110.8
[M+Na]+	104.02192	124.9
[M+NH4]+	99.066523	119.5
[M+K]+	119.99586	118.7
[M-H]-	80.025424	111.7
[M+Na-2H]-	102.00737	120.1
[M]+	81.032151	113.0
[M]-	81.033249	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe