CID 11402034

N,n-diisopropyl-4h-benzo[d][1,3,2]dioxaborinin-2-amine

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OCC2=CC=CC=C2O1)N(C(C)C)C(C)C
InChI
InChI=1S/C13H20BNO2/c1-10(2)15(11(3)4)14-16-9-12-7-5-6-8-13(12)17-14/h5-8,10-11H,9H2,1-4H3
InChIKey
LBKWVNXGUHDPET-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaborinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 155.4
[M+Na]+ 256.14792 159.9
[M-H]- 232.15142 161.7
[M+NH4]+ 251.19252 171.8
[M+K]+ 272.12186 161.7
[M+H-H2O]+ 216.15596 148.3
[M+HCOO]- 278.15690 173.4
[M+CH3COO]- 292.17255 199.4
[M+Na-2H]- 254.13337 160.3
[M]+ 233.15815 156.6
[M]- 233.15925 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.