CID 46738818

910235-64-2

Structural Information

Molecular Formula
C13H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C13H18BNO4/c1-9-10(7-6-8-11(9)15(16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChIKey
DGUVYVUSWYNPNM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-methyl-3-nitrophenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

263.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.140146 154.1
[M+Na]+ 286.122088 162.9
[M-H]- 262.125594 163.1
[M+NH4]+ 281.166693 173.8
[M+K]+ 302.096028 159.4
[M+H-H2O]+ 246.130130 154.6
[M+HCOO]- 308.131071 176.2
[M+CH3COO]- 322.146721 191.8
[M+Na-2H]- 284.107536 161.7
[M]+ 263.13232142 156.5
[M]- 263.13341858 156.5
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