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

2
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

patents stripe