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
4
Annotation Hits

232
References

1744
Patents

225.13249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13977 150.6
[M+Na]+ 248.12171 155.7
[M-H]- 224.12521 156.2
[M+NH4]+ 243.16631 167.7
[M+K]+ 264.09565 152.2
[M+H-H2O]+ 208.12975 142.8
[M+HCOO]- 270.13069 174.4
[M+CH3COO]- 284.14634 191.5
[M+Na-2H]- 246.10716 156.5
[M]+ 225.13194 149.1
[M]- 225.13304 149.1
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