CID 3379984

850568-17-1

Structural Information

Molecular Formula
C8H10BNO4
SMILES
B(C1=CC=C(C=C1)C(=O)NOC)(O)O
InChI
InChI=1S/C8H10BNO4/c1-14-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
MZZWCLBDQROHHS-UHFFFAOYSA-N
Compound name
[4-(methoxycarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

195.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.077556 138.5
[M+Na]+ 218.059498 144.8
[M-H]- 194.063004 139.7
[M+NH4]+ 213.104103 156.1
[M+K]+ 234.033438 143.7
[M+H-H2O]+ 178.067540 132.6
[M+HCOO]- 240.068481 160.3
[M+CH3COO]- 254.084131 180.2
[M+Na-2H]- 216.044946 143.0
[M]+ 195.06973142 137.9
[M]- 195.07082858 137.9
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

patents stripe