CID 68238918

1335095-08-3

Structural Information

Molecular Formula
C8H10BNO2
SMILES
B1(C2=C(CCO1)C=CC(=C2)N)O
InChI
InChI=1S/C8H10BNO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5,11H,3-4,10H2
InChIKey
FAFYNSWNCDQADT-UHFFFAOYSA-N
Compound name
1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 130.0
[M+Na]+ 186.06968 137.6
[M-H]- 162.07318 133.5
[M+NH4]+ 181.11428 149.6
[M+K]+ 202.04362 136.1
[M+H-H2O]+ 146.07772 124.5
[M+HCOO]- 208.07866 150.2
[M+CH3COO]- 222.09431 176.8
[M+Na-2H]- 184.05513 138.1
[M]+ 163.07991 126.6
[M]- 163.08101 126.6
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