CID 21057643

2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCOC
InChI
InChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3
InChIKey
PKCAZCNJOALZSI-UHFFFAOYSA-N
Compound name
2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

200.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16565 139.9
[M+Na]+ 223.14759 148.1
[M-H]- 199.15109 144.9
[M+NH4]+ 218.19219 162.9
[M+K]+ 239.12153 150.1
[M+H-H2O]+ 183.15563 137.1
[M+HCOO]- 245.15657 160.5
[M+CH3COO]- 259.17222 185.3
[M+Na-2H]- 221.13304 146.8
[M]+ 200.15782 145.4
[M]- 200.15892 145.4
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