CID 75487411

1009094-73-8

Structural Information

Molecular Formula
C13H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N)C(=O)O
InChI
InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,15H2,1-4H3,(H,16,17)
InChIKey
FCBHIFVGVWWHIM-UHFFFAOYSA-N
Compound name
3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.140146 155.6
[M+Na]+ 286.122088 164.5
[M-H]- 262.125594 162.9
[M+NH4]+ 281.166693 174.7
[M+K]+ 302.096028 164.5
[M+H-H2O]+ 246.130130 151.6
[M+HCOO]- 308.131071 174.9
[M+CH3COO]- 322.146721 196.7
[M+Na-2H]- 284.107536 159.3
[M]+ 263.13232142 157.3
[M]- 263.13341858 157.3
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.