CID 44118750

850568-22-8

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B(C1=CC=C(C=C1)C(=O)NCCN(C)C)(O)O
InChI
InChI=1S/C11H17BN2O3/c1-14(2)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h3-6,16-17H,7-8H2,1-2H3,(H,13,15)
InChIKey
NCBZQXZOQQLCHQ-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 153.5
[M+Na]+ 259.12244 157.8
[M-H]- 235.12594 155.5
[M+NH4]+ 254.16704 169.7
[M+K]+ 275.09638 156.9
[M+H-H2O]+ 219.13048 146.6
[M+HCOO]- 281.13142 175.5
[M+CH3COO]- 295.14707 195.7
[M+Na-2H]- 257.10789 155.9
[M]+ 236.13267 153.0
[M]- 236.13377 153.0
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