CID 2773494

4-(methoxycarbonylamino)benzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

195.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.077556 138.8
[M+Na]+ 218.059498 145.1
[M-H]- 194.063004 140.0
[M+NH4]+ 213.104103 156.5
[M+K]+ 234.033438 144.1
[M+H-H2O]+ 178.067540 132.9
[M+HCOO]- 240.068481 160.6
[M+CH3COO]- 254.084131 179.5
[M+Na-2H]- 216.044946 143.3
[M]+ 195.06973142 138.1
[M]- 195.07082858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe