CID 58354634

1000801-78-4

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC=C
InChI
InChI=1S/C12H19BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h6,8-9H,1,7H2,2-5H3
InChIKey
RHFBKZWRCYFZMG-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 147.0
[M+Na]+ 257.14318 156.9
[M-H]- 233.14668 153.0
[M+NH4]+ 252.18778 167.6
[M+K]+ 273.11712 156.8
[M+H-H2O]+ 217.15122 142.0
[M+HCOO]- 279.15216 166.7
[M+CH3COO]- 293.16781 190.8
[M+Na-2H]- 255.12863 150.9
[M]+ 234.15341 150.7
[M]- 234.15451 150.7
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