CID 68281533

1437054-10-8

Structural Information

Molecular Formula
C8H10BNO2
SMILES
B1(C2=C(CO1)C=CC(=C2)CN)O
InChI
InChI=1S/C8H10BNO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3,11H,4-5,10H2
InChIKey
BZQYHQXQCMJSLP-UHFFFAOYSA-N
Compound name
(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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

No literature data available for this compound.

Patent stripe

patents stripe