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]+ 206.134686 140.2
[M+Na]+ 228.116628 147.4
[M-H]- 204.120134 146.4
[M+NH4]+ 223.161233 153.5
[M+K]+ 244.090568 144.8
[M+H-H2O]+ 188.124670 133.7
[M+HCOO]- 250.125611 162.6
[M+CH3COO]- 264.141261 190.5
[M+Na-2H]- 226.102076 144.7
[M]+ 205.12686142 141.9
[M]- 205.12795858 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.