CID 165950122

2-(methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C10H18BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(N=C2)COC
InChI
InChI=1S/C10H18BN3O3/c1-9(2)10(3,4)17-11(16-9)8-6-12-14(13-8)7-15-5/h6H,7H2,1-5H3
InChIKey
QFPPIAIYSBWQGA-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14412 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15140 145.8
[M+Na]+ 262.13334 156.1
[M-H]- 238.13684 150.7
[M+NH4]+ 257.17794 164.8
[M+K]+ 278.10728 157.6
[M+H-H2O]+ 222.14138 140.0
[M+HCOO]- 284.14232 164.9
[M+CH3COO]- 298.15797 190.6
[M+Na-2H]- 260.11879 150.5
[M]+ 239.14357 151.5
[M]- 239.14467 151.5
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

No patent data available for this compound.