CID 45791102

868395-81-7

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B(C1=CC=C(C=C1)C(C)N2CCCC2)(O)O
InChI
InChI=1S/C12H18BNO2/c1-10(14-8-2-3-9-14)11-4-6-12(7-5-11)13(15)16/h4-7,10,15-16H,2-3,8-9H2,1H3
InChIKey
NQLHGKJEUGXKQH-UHFFFAOYSA-N
Compound name
[4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 151.1
[M+Na]+ 242.13229 160.8
[M+NH4]+ 237.17689 158.6
[M+K]+ 258.10623 157.8
[M-H]- 218.13579 152.6
[M+Na-2H]- 240.11774 155.9
[M]+ 219.14252 152.6
[M]- 219.14362 152.6
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