CID 72212574

1423123-94-7

Structural Information

Molecular Formula
C9H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=N2)C
InChI
InChI=1S/C9H16BN3O2/c1-8(2)9(3,4)15-10(14-8)7-6-13(5)12-11-7/h6H,1-5H3
InChIKey
JRZQTIYNOZRXEG-UHFFFAOYSA-N
Compound name
1-methyl-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

46
Patents

209.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14084 141.8
[M+Na]+ 232.12278 153.3
[M+NH4]+ 227.16738 151.5
[M+K]+ 248.09672 149.7
[M-H]- 208.12628 145.0
[M+Na-2H]- 230.10823 148.5
[M]+ 209.13301 144.6
[M]- 209.13411 144.6
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