CID 60146083

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

Structural Information

Molecular Formula
C9H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=NN2C
InChI
InChI=1S/C9H16BN3O2/c1-8(2)9(3,4)15-10(14-8)7-6-11-12-13(7)5/h6H,1-5H3
InChIKey
BPWNCFRKHZLWOV-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

209.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14084 138.6
[M+Na]+ 232.12278 149.5
[M-H]- 208.12628 143.7
[M+NH4]+ 227.16738 158.9
[M+K]+ 248.09672 150.8
[M+H-H2O]+ 192.13082 133.0
[M+HCOO]- 254.13176 157.9
[M+CH3COO]- 268.14741 185.6
[M+Na-2H]- 230.10823 143.7
[M]+ 209.13301 142.5
[M]- 209.13411 142.5
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