CID 56776710

1282518-60-8

Structural Information

Molecular Formula
C12H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)C
InChI
InChI=1S/C12H21BN2O2/c1-9(2)15-10(7-8-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
InChIKey
ZKZJXVGTTZXHGX-UHFFFAOYSA-N
Compound name
1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

236.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17688 148.3
[M+Na]+ 259.15882 157.7
[M-H]- 235.16232 154.4
[M+NH4]+ 254.20342 168.9
[M+K]+ 275.13276 158.7
[M+H-H2O]+ 219.16686 143.5
[M+HCOO]- 281.16780 166.9
[M+CH3COO]- 295.18345 192.5
[M+Na-2H]- 257.14427 151.1
[M]+ 236.16905 152.2
[M]- 236.17015 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe