CID 12174057

634196-63-7

Structural Information

Molecular Formula
C10H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CCOC
InChI
InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h8H2,1-5H3
InChIKey
BJDZPOHVHLSGDP-UHFFFAOYSA-N
Compound name
2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

196.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13436 132.1
[M+Na]+ 219.11630 143.9
[M-H]- 195.11980 136.1
[M+NH4]+ 214.16090 153.1
[M+K]+ 235.09024 142.5
[M+H-H2O]+ 179.12434 123.2
[M+HCOO]- 241.12528 147.9
[M+CH3COO]- 255.14093 190.4
[M+Na-2H]- 217.10175 138.9
[M]+ 196.12653 131.5
[M]- 196.12763 131.5
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