CID 91667113

2144499-63-6

Structural Information

Molecular Formula
C12H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24BNO4/c1-10(2,3)16-9(15)14-8-13-17-11(4,5)12(6,7)18-13/h8H2,1-7H3,(H,14,15)
InChIKey
NZHBONRCKUQNAT-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18712 154.9
[M+Na]+ 280.16906 161.9
[M-H]- 256.17256 159.9
[M+NH4]+ 275.21366 175.4
[M+K]+ 296.14300 164.4
[M+H-H2O]+ 240.17710 152.5
[M+HCOO]- 302.17804 173.7
[M+CH3COO]- 316.19369 196.9
[M+Na-2H]- 278.15451 161.4
[M]+ 257.17929 159.9
[M]- 257.18039 159.9
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