CID 138768

Borazine

Structural Information

Molecular Formula

B₃H₆N₃

SMILES

B1NBNBN1

InChI

InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H

InChIKey

BGECDVWSWDRFSP-UHFFFAOYSA-N

Compound name

1,3,5,2,4,6-triazatriborinane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 10
Patents: 81.08409 Da
Monoisotopic Mass: None
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]+	82.091366	114.2
[M+Na]+	104.07331	123.9
[M+NH4]+	99.117913	121.6
[M+K]+	120.04725	119.4
[M-H]-	80.076814	112.9
[M+Na-2H]-	102.05876	118.9
[M]+	81.083541	114.7
[M]-	81.084639	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe