CID 23005359

919496-59-6

Structural Information

Molecular Formula
C9H14BNO2
SMILES
B(C1=CC(=C(C=C1)N(C)C)C)(O)O
InChI
InChI=1S/C9H14BNO2/c1-7-6-8(10(12)13)4-5-9(7)11(2)3/h4-6,12-13H,1-3H3
InChIKey
HCWIPDGKOJNTJY-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

179.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11904 137.6
[M+Na]+ 202.10098 144.6
[M-H]- 178.10448 140.4
[M+NH4]+ 197.14558 157.1
[M+K]+ 218.07492 143.7
[M+H-H2O]+ 162.10902 132.0
[M+HCOO]- 224.10996 159.9
[M+CH3COO]- 238.12561 184.1
[M+Na-2H]- 200.08643 141.3
[M]+ 179.11121 137.6
[M]- 179.11231 137.6
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