CID 4068534

Dibutylborinic acid, ethanolamine ester

Structural Information

Molecular Formula
C10H24BNO
SMILES
B(CCCC)(CCCC)OCCN
InChI
InChI=1S/C10H24BNO/c1-3-5-7-11(8-6-4-2)13-10-9-12/h3-10,12H2,1-2H3
InChIKey
RVHUYZSUNYLBCU-UHFFFAOYSA-N
Compound name
2-dibutylboranyloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

185.1951 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.20238 148.3
[M+Na]+ 208.18432 152.4
[M-H]- 184.18782 147.1
[M+NH4]+ 203.22892 167.8
[M+K]+ 224.15826 151.5
[M+H-H2O]+ 168.19236 142.5
[M+HCOO]- 230.19330 170.2
[M+CH3COO]- 244.20895 188.7
[M+Na-2H]- 206.16977 150.7
[M]+ 185.19455 150.4
[M]- 185.19565 150.4
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