CID 138768

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

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
3
Annotation Hits

17
References

10
Patents

81.08409 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.091366 114.2
[M+Na]+ 104.07331 119.1
[M-H]- 80.076814 108.5
[M+NH4]+ 99.117913 131.5
[M+K]+ 120.04725 116.7
[M+H-H2O]+ 64.081350 107.4
[M+HCOO]- 126.08229 128.1
[M+CH3COO]- 140.09794 125.0
[M+Na-2H]- 102.05876 122.3
[M]+ 81.083541 103.1
[M]- 81.084639 103.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe