CID 110946

Einecs 230-306-1

Structural Information

Molecular Formula
C8H18BNO3
SMILES
B1(OCCC(O1)C)OCCN(C)C
InChI
InChI=1S/C8H18BNO3/c1-8-4-6-11-9(13-8)12-7-5-10(2)3/h8H,4-7H2,1-3H3
InChIKey
NYGGAFJPZFOXAN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

187.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14525 142.4
[M+Na]+ 210.12719 147.1
[M-H]- 186.13069 147.9
[M+NH4]+ 205.17179 159.9
[M+K]+ 226.10113 150.5
[M+H-H2O]+ 170.13523 136.0
[M+HCOO]- 232.13617 163.0
[M+CH3COO]- 246.15182 187.5
[M+Na-2H]- 208.11264 148.5
[M]+ 187.13742 144.4
[M]- 187.13852 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe