CID 3021600

90084-66-5

Structural Information

Molecular Formula
C7H9BN2O3
SMILES
B(C1=CC(=CC=C1)NC(=O)N)(O)O
InChI
InChI=1S/C7H9BN2O3/c9-7(11)10-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H,(H3,9,10,11)
InChIKey
FDZYBPMGFTXHMK-UHFFFAOYSA-N
Compound name
[3-(carbamoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

180.07062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07790 135.5
[M+Na]+ 203.05984 141.4
[M-H]- 179.06334 136.2
[M+NH4]+ 198.10444 153.1
[M+K]+ 219.03378 139.6
[M+H-H2O]+ 163.06788 129.5
[M+HCOO]- 225.06882 157.7
[M+CH3COO]- 239.08447 179.7
[M+Na-2H]- 201.04529 139.6
[M]+ 180.07007 131.3
[M]- 180.07117 131.3
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

patents stripe