CID 130114893

1657004-86-8

Structural Information

Molecular Formula
C10H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=N2)C)C
InChI
InChI=1S/C10H18BN3O2/c1-7-8(12-13-14(7)6)11-15-9(2,3)10(4,5)16-11/h1-6H3
InChIKey
IVFYAONFISBXBH-UHFFFAOYSA-N
Compound name
1,5-dimethyl-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

9
Patents

223.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15648 142.3
[M+Na]+ 246.13842 153.7
[M-H]- 222.14192 147.6
[M+NH4]+ 241.18302 162.4
[M+K]+ 262.11236 154.6
[M+H-H2O]+ 206.14646 137.0
[M+HCOO]- 268.14740 161.2
[M+CH3COO]- 282.16305 189.7
[M+Na-2H]- 244.12387 146.3
[M]+ 223.14865 147.0
[M]- 223.14975 147.0
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