CID 46739662

4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid

Structural Information

Molecular Formula
C10H13BO3
SMILES
B(C1=CC=C(C=C1)C2(CC2)CO)(O)O
InChI
InChI=1S/C10H13BO3/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,12-14H,5-7H2
InChIKey
RSZPBFYCGLSBAF-UHFFFAOYSA-N
Compound name
[4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

192.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.103056 136.7
[M+Na]+ 215.084998 145.4
[M-H]- 191.088504 140.9
[M+NH4]+ 210.129603 151.5
[M+K]+ 231.058938 142.3
[M+H-H2O]+ 175.093040 132.2
[M+HCOO]- 237.093981 156.3
[M+CH3COO]- 251.109631 178.8
[M+Na-2H]- 213.070446 142.8
[M]+ 192.09523142 137.8
[M]- 192.09632858 137.8
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

patents stripe