CID 68238987

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

Structural Information

Molecular Formula
C10H14BNO2
SMILES
B1(C2=C(CC(O1)(C)C)C=CC(=C2)N)O
InChI
InChI=1S/C10H14BNO2/c1-10(2)6-7-3-4-8(12)5-9(7)11(13)14-10/h3-5,13H,6,12H2,1-2H3
InChIKey
NYCLSBZTBKDPCK-UHFFFAOYSA-N
Compound name
1-hydroxy-3,3-dimethyl-4H-2,1-benzoxaborinin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11904 139.4
[M+Na]+ 214.10098 151.9
[M+NH4]+ 209.14558 149.9
[M+K]+ 230.07492 144.4
[M-H]- 190.10448 143.7
[M+Na-2H]- 212.08643 145.7
[M]+ 191.11121 142.6
[M]- 191.11231 142.6
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