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 148.1
[M-H]- 190.10448 143.3
[M+NH4]+ 209.14558 160.2
[M+K]+ 230.07492 146.4
[M+H-H2O]+ 174.10902 134.4
[M+HCOO]- 236.10996 158.8
[M+CH3COO]- 250.12561 183.7
[M+Na-2H]- 212.08643 146.8
[M]+ 191.11121 137.4
[M]- 191.11231 137.4
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

patents stripe