CID 165992611

2710289-96-4

Structural Information

Molecular Formula
C11H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(N=C2)C(C)C
InChI
InChI=1S/C11H20BN3O2/c1-8(2)15-13-7-9(14-15)12-16-10(3,4)11(5,6)17-12/h7-8H,1-6H3
InChIKey
OHDHCTSACVIZBF-UHFFFAOYSA-N
Compound name
2-propan-2-yl-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

237.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.17214 147.9
[M+Na]+ 260.15408 157.6
[M-H]- 236.15758 152.8
[M+NH4]+ 255.19868 167.0
[M+K]+ 276.12802 158.9
[M+H-H2O]+ 220.16212 142.2
[M+HCOO]- 282.16306 165.4
[M+CH3COO]- 296.17871 192.4
[M+Na-2H]- 258.13953 150.8
[M]+ 237.16431 151.9
[M]- 237.16541 151.9
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.