CID 135392277

2152645-07-1

Structural Information

Molecular Formula
C11H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)C3
InChI
InChI=1S/C11H19BO2/c1-9(2)10(3,4)14-12(13-9)11-5-8(6-11)7-11/h8H,5-7H2,1-4H3
InChIKey
VLUPSUNLCGSYAH-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.15509 144.3
[M+Na]+ 217.13703 148.7
[M-H]- 193.14053 151.5
[M+NH4]+ 212.18163 151.5
[M+K]+ 233.11097 155.0
[M+H-H2O]+ 177.14507 134.8
[M+HCOO]- 239.14601 155.6
[M+CH3COO]- 253.16166 211.9
[M+Na-2H]- 215.12248 151.1
[M]+ 194.14726 170.5
[M]- 194.14836 170.5
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