CID 223063

Nsc-10221

Structural Information

Molecular Formula

C₃H₁₂B₃N₃

SMILES

B1N(BN(BN1C)C)C

InChI

InChI=1S/C3H12B3N3/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

InChIKey

SIJDQNVSAGQBND-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 123.131035 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]+	124.13831	124.9
[M+Na]+	146.12025	132.7
[M-H]-	122.12376	124.1
[M+NH4]+	141.16486	143.7
[M+K]+	162.09419	132.3
[M+H-H2O]+	106.12830	117.6
[M+HCOO]-	168.12924	142.3
[M+CH3COO]-	182.14489	172.1
[M+Na-2H]-	144.10570	130.7
[M]+	123.13049	121.6
[M]-	123.13158	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe