CID 57451828

1093642-78-4

Structural Information

Molecular Formula
C8H10BNO2
SMILES
B1(C2=CC=CC=C2C(O1)CN)O
InChI
InChI=1S/C8H10BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8,11H,5,10H2
InChIKey
CIBFETVOAAGXSK-UHFFFAOYSA-N
Compound name
(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

163.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08774 130.2
[M+Na]+ 186.06968 138.7
[M-H]- 162.07318 134.0
[M+NH4]+ 181.11428 151.6
[M+K]+ 202.04362 137.0
[M+H-H2O]+ 146.07772 125.3
[M+HCOO]- 208.07866 152.5
[M+CH3COO]- 222.09431 176.4
[M+Na-2H]- 184.05513 136.8
[M]+ 163.07991 128.9
[M]- 163.08101 128.9
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