CID 1598

2-aminoethyl diphenylborinate

Structural Information

Molecular Formula

C₁₄H₁₆BNO

SMILES

B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN

InChI

InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2

InChIKey

BLZVCIGGICSWIG-UHFFFAOYSA-N

Compound name

2-diphenylboranyloxyethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 233
References: 1584
Patents: 225.13249 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]+	226.13977	152.2
[M+Na]+	248.12171	165.7
[M+NH4]+	243.16631	161.4
[M+K]+	264.09565	157.6
[M-H]-	224.12521	157.7
[M+Na-2H]-	246.10716	162.2
[M]+	225.13194	155.8
[M]-	225.13304	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe