CID 134950808

2-(adamantan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H27BO2/c1-14(2)15(3,4)19-17(18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,5-10H2,1-4H3
InChIKey
YRNLZLCMVODAQE-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

262.21042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21770 158.5
[M+Na]+ 285.19964 162.7
[M-H]- 261.20314 158.3
[M+NH4]+ 280.24424 185.3
[M+K]+ 301.17358 160.5
[M+H-H2O]+ 245.20768 151.2
[M+HCOO]- 307.20862 162.0
[M+CH3COO]- 321.22427 167.7
[M+Na-2H]- 283.18509 166.5
[M]+ 262.20987 160.1
[M]- 262.21097 160.1
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