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]+ 238.172136 147.9
[M+Na]+ 260.154078 157.6
[M-H]- 236.157584 152.8
[M+NH4]+ 255.198683 167.0
[M+K]+ 276.128018 158.9
[M+H-H2O]+ 220.162120 142.2
[M+HCOO]- 282.163061 165.4
[M+CH3COO]- 296.178711 192.4
[M+Na-2H]- 258.139526 150.8
[M]+ 237.16431142 151.9
[M]- 237.16540858 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.