CID 61533907

(3-{[cyclopropyl(methyl)amino]methyl}phenyl)boronic acid hydrochloride

Structural Information

Molecular Formula
C11H16BNO2
SMILES
B(C1=CC(=CC=C1)CN(C)C2CC2)(O)O
InChI
InChI=1S/C11H16BNO2/c1-13(11-5-6-11)8-9-3-2-4-10(7-9)12(14)15/h2-4,7,11,14-15H,5-6,8H2,1H3
InChIKey
KYAAWURQDVLYFJ-UHFFFAOYSA-N
Compound name
[3-[[cyclopropyl(methyl)amino]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13469 140.2
[M+Na]+ 228.11663 147.4
[M-H]- 204.12013 146.4
[M+NH4]+ 223.16123 153.5
[M+K]+ 244.09057 144.8
[M+H-H2O]+ 188.12467 133.7
[M+HCOO]- 250.12561 162.6
[M+CH3COO]- 264.14126 190.5
[M+Na-2H]- 226.10208 144.7
[M]+ 205.12686 141.9
[M]- 205.12796 141.9
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

No patent data available for this compound.