CID 165649447

2-{[3-(benzyloxy)cyclopentylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C19H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C\2/CCC(C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H27BO3/c1-18(2)19(3,4)23-20(22-18)13-16-10-11-17(12-16)21-14-15-8-6-5-7-9-15/h5-9,13,17H,10-12,14H2,1-4H3/b16-13-
InChIKey
IZQSOVSANCKSOW-SSZFMOIBSA-N
Compound name
4,4,5,5-tetramethyl-2-[(Z)-(3-phenylmethoxycyclopentylidene)methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21260 172.6
[M+Na]+ 337.19454 179.1
[M-H]- 313.19804 183.4
[M+NH4]+ 332.23914 192.2
[M+K]+ 353.16848 177.7
[M+H-H2O]+ 297.20258 167.7
[M+HCOO]- 359.20352 191.4
[M+CH3COO]- 373.21917 204.1
[M+Na-2H]- 335.17999 173.3
[M]+ 314.20477 173.8
[M]- 314.20587 173.8
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

No patent data available for this compound.