CID 44119348

4-(n'-hydroxycarbamimidoyl)phenylboronic acid

Structural Information

Molecular Formula
C7H9BN2O3
SMILES
B(C1=CC=C(C=C1)/C(=N/O)/N)(O)O
InChI
InChI=1S/C7H9BN2O3/c9-7(10-13)5-1-3-6(4-2-5)8(11)12/h1-4,11-13H,(H2,9,10)
InChIKey
LTKQMNXFUOIBQG-UHFFFAOYSA-N
Compound name
[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07790 136.6
[M+Na]+ 203.05984 145.1
[M+NH4]+ 198.10444 142.8
[M+K]+ 219.03378 142.3
[M-H]- 179.06334 137.0
[M+Na-2H]- 201.04529 140.7
[M]+ 180.07007 137.3
[M]- 180.07117 137.3
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.