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

40
Patents

209.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09322 142.8
[M+Na]+ 232.07516 148.8
[M-H]- 208.07866 145.3
[M+NH4]+ 227.11976 160.5
[M+K]+ 248.04910 149.0
[M+H-H2O]+ 192.08320 136.6
[M+HCOO]- 254.08414 164.8
[M+CH3COO]- 268.09979 186.6
[M+Na-2H]- 230.06061 146.1
[M]+ 209.08539 143.9
[M]- 209.08649 143.9
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