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

82
Patents

192.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10306 136.7
[M+Na]+ 215.08500 145.4
[M-H]- 191.08850 140.9
[M+NH4]+ 210.12960 151.5
[M+K]+ 231.05894 142.3
[M+H-H2O]+ 175.09304 132.2
[M+HCOO]- 237.09398 156.3
[M+CH3COO]- 251.10963 178.8
[M+Na-2H]- 213.07045 142.8
[M]+ 192.09523 137.8
[M]- 192.09633 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