CID 91658869

2377607-37-7

Structural Information

Molecular Formula
C17H27BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C3CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H27BN2O4/c1-15(2,3)22-14(21)20-10-12(13(19-20)11-8-9-11)18-23-16(4,5)17(6,7)24-18/h10-11H,8-9H2,1-7H3
InChIKey
DUYMAVKOQYYUCM-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

334.2064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21368 174.8
[M+Na]+ 357.19562 184.8
[M-H]- 333.19912 184.6
[M+NH4]+ 352.24022 186.8
[M+K]+ 373.16956 185.4
[M+H-H2O]+ 317.20366 171.1
[M+HCOO]- 379.20460 189.7
[M+CH3COO]- 393.22025 211.0
[M+Na-2H]- 355.18107 176.3
[M]+ 334.20585 183.6
[M]- 334.20695 183.6
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