CID 122164269

7-amino-4-methyl-3,4-dihydro-1h-2,1-benzoxaborinin-1-ol

Structural Information

Molecular Formula
C9H12BNO2
SMILES
B1(C2=C(C=CC(=C2)N)C(CO1)C)O
InChI
InChI=1S/C9H12BNO2/c1-6-5-13-10(12)9-4-7(11)2-3-8(6)9/h2-4,6,12H,5,11H2,1H3
InChIKey
UUGLTUNILSKVDS-UHFFFAOYSA-N
Compound name
1-hydroxy-4-methyl-3,4-dihydro-2,1-benzoxaborinin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10340 135.0
[M+Na]+ 200.08534 143.1
[M-H]- 176.08884 138.8
[M+NH4]+ 195.12994 154.3
[M+K]+ 216.05928 141.4
[M+H-H2O]+ 160.09338 129.6
[M+HCOO]- 222.09432 154.8
[M+CH3COO]- 236.10997 181.1
[M+Na-2H]- 198.07079 141.8
[M]+ 177.09557 132.4
[M]- 177.09667 132.4
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.