CID 46739660

1217501-08-0

Structural Information

Molecular Formula
C11H13BO4
SMILES
B(C1=CC=C(C=C1)C2(CC2)C(=O)OC)(O)O
InChI
InChI=1S/C11H13BO4/c1-16-10(13)11(6-7-11)8-2-4-9(5-3-8)12(14)15/h2-5,14-15H,6-7H2,1H3
InChIKey
HVUPAWWRAWWJMH-UHFFFAOYSA-N
Compound name
[4-(1-methoxycarbonylcyclopropyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

220.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09796 144.2
[M+Na]+ 243.07990 152.8
[M-H]- 219.08340 149.6
[M+NH4]+ 238.12450 158.4
[M+K]+ 259.05384 150.7
[M+H-H2O]+ 203.08794 139.3
[M+HCOO]- 265.08888 164.2
[M+CH3COO]- 279.10453 185.5
[M+Na-2H]- 241.06535 148.9
[M]+ 220.09013 147.4
[M]- 220.09123 147.4
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