CID 53216774

1218790-98-7

Structural Information

Molecular Formula
C16H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C(=O)O
InChI
InChI=1S/C16H21BO4/c1-14(2)15(3,4)21-17(20-14)12-7-5-11(6-8-12)16(9-10-16)13(18)19/h5-8H,9-10H2,1-4H3,(H,18,19)
InChIKey
YZWDIFNCAKRQCL-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

288.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16058 157.3
[M+Na]+ 311.14252 167.2
[M-H]- 287.14602 168.5
[M+NH4]+ 306.18712 172.7
[M+K]+ 327.11646 168.7
[M+H-H2O]+ 271.15056 154.2
[M+HCOO]- 333.15150 174.3
[M+CH3COO]- 347.16715 200.8
[M+Na-2H]- 309.12797 162.6
[M]+ 288.15275 163.6
[M]- 288.15385 163.6
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

patents stripe