CID 2773358

850568-15-9

Structural Information

Molecular Formula
C12H16BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)NC2CCCC2)(O)O
InChI
InChI=1S/C12H16BNO3/c15-12(14-11-3-1-2-4-11)9-5-7-10(8-6-9)13(16)17/h5-8,11,16-17H,1-4H2,(H,14,15)
InChIKey
VMJFATWKBZYOFO-UHFFFAOYSA-N
Compound name
[4-(cyclopentylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

233.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12961 151.8
[M+Na]+ 256.11155 155.5
[M-H]- 232.11505 155.3
[M+NH4]+ 251.15615 169.2
[M+K]+ 272.08549 152.8
[M+H-H2O]+ 216.11959 145.4
[M+HCOO]- 278.12053 171.4
[M+CH3COO]- 292.13618 186.5
[M+Na-2H]- 254.09700 152.6
[M]+ 233.12178 146.6
[M]- 233.12288 146.6
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