CID 3856172

723281-57-0

Structural Information

Molecular Formula
C9H12BNO4
SMILES
B(C1=CC(=CC=C1)C(=O)N(C)OC)(O)O
InChI
InChI=1S/C9H12BNO4/c1-11(15-2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3
InChIKey
IYZAWDLXZOCCSB-UHFFFAOYSA-N
Compound name
[3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

209.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09322 143.8
[M+Na]+ 232.07516 153.2
[M+NH4]+ 227.11976 150.0
[M+K]+ 248.04910 150.4
[M-H]- 208.07866 144.0
[M+Na-2H]- 230.06061 148.1
[M]+ 209.08539 144.8
[M]- 209.08649 144.8
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