CID 58204434

1201657-32-0

Structural Information

Molecular Formula
C15H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)(C)C(=O)OCC
InChI
InChI=1S/C15H25BN2O4/c1-8-20-12(19)13(2,3)18-10-11(9-17-18)16-21-14(4,5)15(6,7)22-16/h9-10H,8H2,1-7H3
InChIKey
FIXNVGDENQNXPD-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

308.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19801 165.3
[M+Na]+ 331.17995 173.8
[M-H]- 307.18345 171.4
[M+NH4]+ 326.22455 183.0
[M+K]+ 347.15389 175.3
[M+H-H2O]+ 291.18799 161.2
[M+HCOO]- 353.18893 181.9
[M+CH3COO]- 367.20458 204.5
[M+Na-2H]- 329.16540 168.6
[M]+ 308.19018 172.0
[M]- 308.19128 172.0
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